The program Surflex was used to generate computationally docked conformations of congeneric series of Ligands with their Targets. Docking was performed only when at least one crystal structure is available for a Ligand in the series, and this crystal structure was used as a model for the compounds in the series for which no crystal structure was available. Congeneric series were identified automatically based on Tanimoto similarity of ChemAxon chemical fingerprints. Drs. Russell Spitzer and Ajay Jain generously assisted BindingDB's automation of this procedure.

  1. PDB ID and ligand HET ID
    Target
    Crystal structure ligand
    Surflex score range
    Affinity range (nM)
    View/Download
  2. 11GS, EAA
    Glutathione S-transferase Pi
    CHEMBL456
    0.53 - 1.74
    704 - 40000
    10
  3. 1A29, TFP
    Calmodulin
    TRIFLUOPERAZINE
    2.85 - 3.16
    1000 - 10300
    2
  4. 1AO8, MTX
    Dihydrofolate reductase
    MTX
    4.85 - 9.80
    4 - 100000
    14
  5. 1AQ1, STU
    Cyclin-dependent kinase 2
    Staurosporine
    8.11 - 13.24
    3 - 680
    10
  6. 1AU0, SDK
    Cathepsin K
    CHEMBL281540
    3.95 - 9.31
    2 - 10000
    8
  7. 1AU3, PCM
    Cathepsin K
    pyrrolidinone analogue, 24
    3.94 - 10.21
    0.60 - 250
    11
  8. 1AU4, INP
    Cathepsin K
    CHEMBL119285
    4.17 - 10.08
    0.60 - 250
    12
  9. 1AXW, MTX
    Thymidylate synthase
    MTX
    5.35 - 9.55
    5 - 180000
    9
  10. 1AYV, IN6
    Cathepsin K
    CHEMBL57836
    2.06 - 2.71
    10 - 13000
    2
  11. 1B6A, TN4
    Methionine Aminopeptidase Type 2 (MetAP2)
    TNP-470
    3.48 - 6.48
    0.10 - 53600
    10
  12. 1BCD, FMS
    Carbonic anhydrase 2
    CHEMBL67511
    1.83 - 4.56
    30 - 390000000
    3
  13. 1BGQ, RDC
    Heat Shock Protein 90 (Hsp90)
    cid_16196977
    0.06 - 5.86
    30 - 100000
    8
  14. 1BN1, AL5
    Carbonic anhydrase 2
    AL5917
    4.45 - 7.50
    0.46 - 0.83
    3
  15. 1BN3, AL6
    Carbonic anhydrase 2
    AL6528
    5.45 - 8.43
    0.08 - 2
    14
  16. 1BN4, AL9
    Carbonic anhydrase 2
    AL5927
    4.09 - 6.20
    0.46 - 0.83
    3
  17. 1BNM, AL8
    Carbonic anhydrase 2
    AL7089
    4.36 - 7.77
    0.08 - 3000
    13
  18. 1BNN, AL1
    Carbonic anhydrase 2
    AL7182
    4.86 - 7.06
    0.08 - 3000
    14
  19. 1BNQ, AL4
    Carbonic anhydrase 2
    AL4623
    3.07 - 6.42
    0.10 - 3000
    10
  20. 1BNT, AL2
    Carbonic anhydrase 2
    AL5424
    5.12 - 7.50
    0.08 - 3000
    13
  21. 1BNU, AL3
    Carbonic anhydrase 2
    AL5300
    2.87 - 4.81
    0.10 - 3000
    9
  22. 1BNV, AL7
    Carbonic anhydrase 2
    AL7099
    4.66 - 8.55
    0.10 - 3000
    12
  23. 1BNW, TPD
    Carbonic anhydrase 2
    AL5415
    4.50 - 6.40
    0.20 - 0.83
    4
  24. 1BR6, PT1
    Ricin
    Pteridine deriv. 12
    6.73 - 10.41
    600000 - 700000
    2
  25. 1BSX, T3
    Thyroid Hormone Receptor (TR-beta)
    3,5,3'-triiodo-L-thyronine (T3)
    5.42 - 9.77
    0.02 - 271
    6
  26. 1BZJ, PIC
    Protein-tyrosine phosphatase 1B (PTP1B)
    CHEMBL99447
    8.08 - 10.21
    120 - 718100
    10
  27. 1C0T, BM1
    HIV-1 Reverse Transcriptase RNase H
    Thiazoloisoindol-5-one deriv. 13R
    5.75 - 8.31
    16 - 280
    3
  28. 1C0U, BM5
    HIV-1 Reverse Transcriptase RNase H
    Thiazoloisoindol-5-one deriv. 43
    5.30 - 6.48
    16 - 280
    3
  29. 1CAH, BCT
    Carbonic anhydrase 2
    bicarbonate ion
    4.82 - 4.82
    73000000 - 73000000
    2
  30. 1CBR, REA
    Cellular retinoic acid-rwd/binding protein I
    AT-RA
    5.61 - 9.21
    0.30 - 200
    6
  31. 1CIL, ETS
    Carbonic anhydrase 2
    Dorzolamide (DZA)
    4.93 - 7.70
    0.14 - 9000
    13
  32. 1CJ1, C78
    GRB2
    CHEMBL307890
    10.53 - 13.37
    0.00 - 5000
    6
  33. 1CKP, PVB
    Cyclin-dependent kinase 2
    Purvalanol B
    4.04 - 9.99
    6 - 250000
    12
  34. 1CNW, EG1
    Carbonic anhydrase 2
    CHEBI:217926
    3.73 - 6.21
    1.00 - 330
    14
  35. 1CTR, TFP
    Calmodulin
    TRIFLUOPERAZINE
    3.78 - 3.86
    1000 - 10300
    2
  36. 1D3G, BRE
    Dihydroorotate Dehydrogenase (DHODH)
    CHEMBL220467
    9.64 - 12.69
    3 - 500
    17
  37. 1D3H, A26
    Dihydroorotate Dehydrogenase (DHODH)
    Alpha-cyano-beta-hydroxy enamide, 1
    1.19 - 6.27
    11 - 1083
    6
  38. 1DDU, CB3
    Thymidylate synthase
    CHEMBL265510
    4.09 - 7.60
    5 - 180000
    8
  39. 1DMT, RDF
    Neprilysin
    Phosphoramidon
    12.64 - 15.17
    0.40 - 100
    3
  40. 1E8W, QUE
    Phosphoinositide 3-Kinase (PI3K), gamma
    Quercetin
    4.35 - 4.71
    1800 - 3800
    2
  41. 1E90, MYC
    Phosphoinositide 3-Kinase (PI3K), gamma
    Myricetin, 17
    6.10 - 6.46
    1800 - 3800
    2
  42. 1EF3, FID
    Aldose reductase
    Fidarestat
    2.49 - 7.22
    9 - 100000
    5
  43. 1EK2, CDU
    Epoxide hydratase
    CHEMBL67158
    4.57 - 11.04
    4 - 500000
    12
  44. 1EOU, SMS
    Carbonic anhydrase 2
    RWJ-37947
    3.26 - 7.65
    10 - 13000
    6
  45. 1ETS, MID
    Thrombin
    CHEMBL51173
    5.28 - 11.24
    6 - 6000
    11
  46. 1F0Q, EMO
    Casein Kinase II
    Emodin
    4.38 - 7.68
    350 - 40000
    4
  47. 1FJ4, TLM
    3-oxoacyl-[acyl-carrier-protein] synthase 1
    CHEMBL399043
    5.14 - 8.46
    20000 - 1000000
    12
  48. 1FK9, EFZ
    HIV-1 Reverse Transcriptase RNase H
    Efavirenz
    7.37 - 8.14
    4 - 1958
    3
  49. 1FVV, 107
    Cyclin A2
    Other, 22
    9.32 - 11.86
    0.54 - 333
    15
  50. 1G27, BB1
    Peptide Deformylase
    CHEMBL431210
    10.30 - 11.48
    7 - 40
    3
  51. 1G2A, BB2
    Peptide Deformylase
    cid_2020
    3.37 - 11.58
    0.23 - 109
    4
  52. 1G45, FSB
    Carbonic Anhydrase II Mutant (F131V)
    2-fluoro-SBB
    5.34 - 6.20
    2 - 6
    8
  53. 1G46, F2B
    Carbonic Anhydrase II Mutant (F131V)
    2,3-difluoro-SBB
    5.03 - 6.43
    2 - 6
    11
  54. 1G48, F6B
    Carbonic Anhydrase II Mutant (F131V)
    2,6-difluoro-SBB
    4.85 - 5.56
    2 - 6
    7
  55. 1G4J, FFB
    Carbonic Anhydrase II Mutant (F131V)
    2,3,4,5,6-pentafluoro-SBB
    4.66 - 4.92
    2 - 6
    9
  56. 1G4O, BSB
    Carbonic Anhydrase II Mutant (F131V)
    SBB
    4.62 - 5.60
    2 - 6
    11
  57. 1G5S, I17
    Cyclin-dependent kinase 2
    H717
    5.16 - 10.67
    24 - 250000
    12
  58. 1G6S, S3P
    5-enolpyruvylshikimate-3-phosphate synthase
    CHEBI:145989
    10.20 - 21.58
    15 - 90000000
    13
  59. 1G6T, S3P
    5-enolpyruvylshikimate-3-phosphate synthase
    CHEBI:145989
    9.78 - 21.37
    15 - 90000000
    11
  60. 1G7G, INX
    Protein-tyrosine phosphatase 1B (PTP1B)
    sulfotyrosyl tripeptide analog 6
    8.68 - 14.31
    220 - 9400
    5
  61. 1GIH, 1PU
    Cyclin-dependent kinase 2
    diarylurea deriv. 1
    4.76 - 7.04
    78 - 25000
    13
  62. 1GJ7, 132
    Urokinase (uPA)
    APC-10302
    7.13 - 7.57
    14 - 370
    4
  63. 1GSF, EAA
    Glutathione S-transferase A1
    CHEMBL456
    1.91 - 9.48
    14 - 13850
    6
  64. 1GZ8, MBP
    Cyclin-dependent kinase 2
    O6-Substituted Guanine Deriv. 22
    7.91 - 9.81
    15000 - 100000
    13
  65. 1H0V, UN4
    Cyclin-dependent kinase 2
    O6-Substituted Guanine Deriv. 56
    7.07 - 9.10
    15000 - 100000
    11
  66. 1H1P, CMG
    Cyclin A2
    NU2058
    5.93 - 8.52
    5000 - 100000
    11
  67. 1H1Q, 2A6
    Cyclin A2
    O6-Cyclohexylmethylguanine deriv. 2
    7.93 - 10.82
    69 - 12000
    11
  68. 1H1R, 6CP
    Cyclin A2
    O6-Cyclohexylmethylguanine deriv. 15
    8.46 - 10.06
    69 - 12000
    9
  69. 1H1S, 4SP
    Cyclin A2
    NU6102
    8.53 - 11.08
    5 - 6800
    13
  70. 1H82, GZZ
    Polyamine oxidase
    CHEMBL102276
    5.00 - 15.24
    0.08 - 3000
    14
  71. 1HFC, PLH
    Matrix Metalloproteinase-1 (MMP-1)
    CHEMBL11306
    4.38 - 12.99
    1.00 - 50000
    15
  72. 1HNN, SKF
    Phenylethanolamine N-Methyltransferase (PNMT)
    SKF 29661
    4.21 - 9.33
    52 - 66000
    10
  73. 1HPM, ADP
    heat shock 70kDa protein 8 isoform 1
    Adenosine Diphosphate (ADP)
    7.96 - 17.01
    110 - 17300
    4
  74. 1HVY, D16
    Thymidylate Synthase (TS)
    RTX
    5.94 - 10.08
    1.00 - 24547
    13
  75. 1HVY, UMP
    Thymidylate Synthase (TS)
    CHEMBL211312
    7.54 - 11.33
    15 - 134100
    12
  76. 1I00, D16
    Thymidylate Synthase (TS)
    RTX
    2.07 - 9.03
    1.00 - 10000
    12
  77. 1I00, UMP
    Thymidylate Synthase (TS)
    CHEMBL211312
    9.20 - 11.87
    14 - 432800
    11
  78. 1I8Z, INL
    Carbonic anhydrase 2
    AL-6629
    2.54 - 4.87
    0.08 - 2
    15
  79. 1I91, INQ
    Carbonic anhydrase 2
    AL-6619
    4.95 - 6.87
    0.08 - 2
    15
  80. 1I9L, INV
    Carbonic Anhydrase II Mutant (F131V)
    4-fluoro-SBB
    3.96 - 5.05
    2 - 6
    11
  81. 1I9M, INW
    Carbonic Anhydrase II Mutant (F131V)
    2,4-difluoro-SBB
    4.97 - 5.58
    2 - 6
    11
  82. 1I9N, IOA
    Carbonic Anhydrase II Mutant (F131V)
    2,5-difluoro-SBB
    3.40 - 4.53
    2 - 6
    11
  83. 1I9O, IOC
    Carbonic Anhydrase II Mutant (F131V)
    2,3,4-trifluoro-SBB
    3.42 - 3.90
    2 - 6
    8
  84. 1I9P, IOE
    Carbonic Anhydrase II Mutant (F131V)
    2,4,6-trifluoro-SBB
    2.65 - 3.94
    2 - 6
    9
  85. 1I9Q, IOF
    Carbonic Anhydrase II Mutant (F131V)
    3,4,5-trifluoro-SBB
    3.13 - 3.92
    2 - 6
    11
  86. 1ICT, T44
    Transthyretin
    CHEMBL1624
    3.35 - 3.88
    7170 - 10500
    2
  87. 1IEP, STI
    ABL
    Imatinib, 21
    12.02 - 16.74
    9 - 11
    2
  88. 1IF4, FBS
    Carbonic anhydrase 2
    4-Fuloro sulfonamide, C
    3.64 - 4.67
    0.80 - 16672472
    8
  89. 1IL3, 7DG
    Ricin
    CHEBI:162890
    7.77 - 8.23
    900000 - 2800000
    2
  90. 1IPC, MGP
    Eukaryotic translation initation factor
    CHEMBL1094973
    7.31 - 11.14
    28 - 56800
    14
  91. 1ITO, E6C
    Cathepsin B
    epoxysuccinyl derivative E64c
    1.34 - 5.26
    23 - 68000
    13
  92. 1IYK, MIM
    Myristoyl-CoA:protein N-myristoyltransferase (Nmt)
    CHEMBL6269
    7.23 - 20.00
    31 - 110000
    14
  93. 1IYL, R64
    Myristoyl-CoA:protein N-myristoyltransferase (Nmt)
    Non peptidic, 5
    8.00 - 12.37
    1.00 - 1700
    5
  94. 1J3J, CP6
    Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant V1/S
    Pyrimethamine (Pyr)
    4.06 - 7.32
    0.30 - 100000
    10
  95. 1JLQ, SBN
    HIV-1 Reverse Transcriptase RNase H
    2-Amino-6-arylthiobenzonitrile deriv. 3v, 739W94
    4.07 - 6.33
    7 - 21000
    14
  96. 1JQD, SAH
    Histamine N-methyltransferase
    CHEMBL418052
    11.27 - 11.75
    10400 - 59800
    2
  97. 1JVU, C2P
    RNase A
    CHEMBL582887
    1.60 - 9.96
    41 - 844200
    14
  98. 1K1O, IGN
    Trypsin I
    CHEMBL299617
    8.31 - 10.34
    1200 - 215000
    7
  99. 1K3L, GTX
    Glutathione S-transferase A1
    CHEMBL58135
    12.92 - 14.91
    840 - 360000
    7
  100. 1K3Y, GTX
    Glutathione S-transferase A1
    CHEMBL58135
    12.96 - 15.14
    840 - 360000
    7
  101. 1KAK, FNP
    Protein-tyrosine phosphatase 1B (PTP1B)
    CHEBI:334115
    0.70 - 11.52
    120 - 500000
    9
  102. 1KAV, FEP
    Protein-tyrosine phosphatase 1B (PTP1B)
    CHEBI:334177
    1.12 - 15.09
    2 - 778900
    12
  103. 1KCE, CB3
    Thymidylate synthase
    CHEMBL265510
    5.93 - 8.96
    5 - 180000
    9
  104. 1KE5, LS1
    Cyclin-dependent kinase 2
    Oxindole-Based Inhibitor 98
    6.26 - 10.46
    2 - 1000
    12
  105. 1KE6, LS2
    Cyclin-dependent kinase 2
    Oxindole-Based Inhibitor 105
    2.80 - 9.54
    2 - 75
    15
  106. 1KE7, LS3
    Cyclin-dependent kinase 2
    Oxindole-Based Inhibitor 109
    6.79 - 10.10
    2 - 54
    9
  107. 1KE8, LS4
    Cyclin-dependent kinase 2
    Oxindole-Based Inhibitor 100
    4.91 - 9.24
    2 - 1000
    12
  108. 1KE9, LS5
    Cyclin-dependent kinase 2
    CS241
    5.92 - 9.39
    22 - 1000
    12
  109. 1KLM, SPP
    HIV-1 Reverse Transcriptase RNase H
    U-90152S
    8.98 - 13.48
    250 - 8300
    12
  110. 1KWQ, SG1
    Carbonic anhydrase 2
    LeadQuest Compound 7
    2.24 - 5.45
    0.62 - 3500
    13
  111. 1L8B, MGP
    Eukaryotic translation initiation factor 4E
    CHEMBL1094973
    6.57 - 11.12
    10 - 69100
    14
  112. 1LD7, U66
    Protein Farnesyltransferase (PFT)
    Macrocyclic 3-Aminopyrrolidinone analog 66
    2.26 - 6.20
    1.00 - 2200
    7
  113. 1LD8, U49
    Protein Farnesyltransferase (PFT)
    Macrocyclic 3-Aminopyrrolidinone analog 50
    0.15 - 5.71
    0.10 - 20000
    10
  114. 1LF3, EH5
    Plasmepsin 2
    CHEMBL32997
    1.96 - 13.52
    2 - 30000
    15
  115. 1LIN, TFP
    Calmodulin
    TRIFLUOPERAZINE
    3.41 - 4.34
    1000 - 10300
    2
  116. 1LRU, BB2
    Peptide Deformylase
    cid_2020
    2.49 - 11.84
    0.23 - 109
    4
  117. 1M2P, HNA
    Casein Kinase II
    MNA
    3.89 - 5.55
    350 - 40000
    4
  118. 1M2Q, MNX
    Casein Kinase II
    MNX
    4.44 - 4.70
    800 - 40000
    2
  119. 1M2R, MNY
    Casein Kinase II
    DAA
    3.41 - 6.01
    350 - 40000
    4
  120. 1MZC, BNE
    Protein Farnesyltransferase (PFT)
    CHEMBL294888
    0.46 - 7.68
    0.06 - 20000
    7
  121. 1N3Z, ADN
    Seminal ribonuclease
    cid_60961
    1.48 - 2.11
    27900 - 1557900
    2
  122. 1N3Z, U3P
    Seminal ribonuclease
    CHEMBL460741
    5.03 - 5.89
    40800 - 63200
    2
  123. 1N46, PFA
    Thyroid Hormone Receptor (TR-beta)
    CHEMBL125381
    3.20 - 11.92
    0.03 - 1.00
    3
  124. 1N5K, TMP
    Thymidylate kinase
    CHEMBL394429
    10.30 - 11.60
    4500 - 110000
    4
  125. 1N5L, TMP
    Thymidylate kinase
    CHEMBL394429
    7.56 - 8.57
    4500 - 110000
    4
  126. 1N5R, PRM
    Acetylcholinesterase (AChE)
    propidium iodide
    3.87 - 4.97
    0.00 - 160000
    3
  127. 1N7I, LY1
    Phenylethanolamine N-Methyltransferase (PNMT)
    LY134046
    0.68 - 6.65
    3 - 50000
    15
  128. 1NAX, IH5
    Thyroid Hormone Receptor (TR-beta)
    KB-141
    5.22 - 11.91
    0.15 - 2140
    13
  129. 1NHG, TCL
    Enoyl-ACP Reductase (PfENR)
    Triclosan
    1.36 - 3.56
    49 - 7000
    12
  130. 1NL6, 750
    Cathepsin K
    CHEMBL284939
    1.58 - 8.19
    0.01 - 980
    15
  131. 1NL9, 989
    Protein-tyrosine phosphatase 1B (PTP1B)
    Oxalylarylaminobenzoic Acid Analog 12a
    14.97 - 19.54
    20 - 100000
    15
  132. 1NLJ, 2CA
    Cathepsin K
    Azepan-3-one compound 1
    3.75 - 9.24
    0.01 - 670
    10
  133. 1NNY, 515
    Protein-tyrosine phosphatase 1B (PTP1B)
    linked-fragment derived compound 23
    12.12 - 19.22
    18 - 1100
    8
  134. 1NO6, 794
    Protein-tyrosine phosphatase 1B (PTP1B)
    naphthyloxamic acid 5
    9.89 - 12.64
    17000 - 1700000
    6
  135. 1NVQ, UCN
    Checkpoint kinase-1 (CHK1)
    UCN-01
    7.58 - 12.35
    2 - 30
    8
  136. 1NVR, STU
    Checkpoint kinase-1 (CHK1)
    Staurosporine
    7.08 - 10.35
    2 - 30
    8
  137. 1NVS, UCM
    Checkpoint kinase-1 (CHK1)
    SB-218078
    1.71 - 9.68
    2 - 1300000
    12
  138. 1NXK, STU
    MAPK-Activated Protein Kinase 2 (MK2)
    Staurosporine
    7.34 - 11.44
    400 - 3400
    4
  139. 1NZ7, 901
    Protein-tyrosine phosphatase 1B (PTP1B)
    oxalyl-aryl-amino benzoic acid-based inhibitor 19
    15.64 - 22.73
    63 - 3400
    15
  140. 1O0M, U2P
    RNase A
    CHEMBL447360
    1.99 - 7.38
    27 - 647000
    13
  141. 1O0N, U3P
    RNase A
    CHEMBL460741
    2.84 - 10.35
    27 - 844200
    13
  142. 1O3P, 655
    Urokinase (uPA)
    APC-10655
    6.78 - 8.70
    30 - 370
    5
  143. 1O41, 300
    Tyrosine-protein kinase SRC
    RU78300
    4.71 - 7.71
    80000 - 3500000
    5
  144. 1O42, 843
    Tyrosine-protein kinase SRC
    RU81843
    9.80 - 10.39
    1300 - 9000
    3
  145. 1O43, 821
    Tyrosine-protein kinase SRC
    RU82129
    10.16 - 12.76
    3 - 2200
    5
  146. 1O44, 852
    Tyrosine-protein kinase SRC
    RU85052
    5.69 - 16.56
    0.25 - 2300
    9
  147. 1O45, 687
    Tyrosine-protein kinase SRC
    RU84687
    9.23 - 12.08
    0.25 - 9000
    3
  148. 1O46, 903
    Tyrosine-protein kinase SRC
    RU90395
    3.24 - 14.31
    0.25 - 9000
    9
  149. 1O47, 822
    Tyrosine-protein kinase SRC
    RU82209
    6.54 - 10.75
    4 - 30000
    9
  150. 1O48, 853
    Tyrosine-protein kinase SRC
    RU85053
    7.05 - 15.96
    0.25 - 2200
    9
  151. 1O49, 493
    Tyrosine-protein kinase SRC
    RU85493
    3.98 - 13.22
    26 - 378000
    10
  152. 1O4A, 197
    Tyrosine-protein kinase SRC
    RU82197
    6.08 - 11.50
    3 - 1300
    6
  153. 1O4B, 876
    Tyrosine-protein kinase SRC
    RU83876
    4.25 - 10.07
    26 - 100000
    7
  154. 1O4D, 262
    Tyrosine-protein kinase SRC
    RU78262
    2.48 - 5.53
    80000 - 3500000
    5
  155. 1O4E, 299
    Tyrosine-protein kinase SRC
    RU78299
    2.22 - 3.81
    39000 - 4000000
    5
  156. 1O4F, 790
    Tyrosine-protein kinase SRC
    RU79073
    0.05 - 3.78
    300000 - 300000
    2
  157. 1O4G, I59
    Tyrosine-protein kinase SRC
    DPI59
    4.05 - 4.41
    4400000 - 10000000
    3
  158. 1O4I, 219
    Tyrosine-protein kinase SRC
    PAS219
    3.52 - 4.89
    80000 - 10000000
    6
  159. 1O4J, IS2
    Tyrosine-protein kinase SRC
    ISO24
    3.04 - 3.59
    3600000 - 4400000
    2
  160. 1O4K, PSN
    Tyrosine-protein kinase SRC
    PASBN
    3.22 - 5.66
    500000 - 5000000
    6
  161. 1O4O, HPS
    Tyrosine-protein kinase SRC
    Phenylphosphate
    1.29 - 2.49
    300000 - 5000000
    4
  162. 1O4P, 791
    Tyrosine-protein kinase SRC
    RU78191
    5.62 - 10.36
    200000 - 2530000
    2
  163. 1O4Q, 256
    Tyrosine-protein kinase SRC
    RU79256
    4.36 - 4.36
    190000 - 3230000
    2
  164. 1O4R, 787
    Tyrosine-protein kinase SRC
    RU78783
    5.93 - 9.16
    3900000 - 10000000
    4
  165. 1O5A, 696
    Urokinase (uPA) Mutant (S190A)
    APC-8696
    7.40 - 8.18
    380 - 39000
    4
  166. 1O5C, CR9
    Urokinase (uPA) Mutant (S190A)
    CRA-11092
    6.88 - 8.08
    3900 - 39000
    5
  167. 1O5E, 132
    Hepsin
    APC-10302
    8.24 - 8.30
    85 - 1800
    2
  168. 1OGU, ST8
    Cyclin A2
    2-arylamino-pyrimidine deriv. 9d
    6.08 - 9.19
    1.00 - 59000
    8
  169. 1OI9, N20
    Cyclin A2
    O6-Cyclohexylmethylguanine deriv. 25
    9.03 - 10.44
    69 - 12000
    11
  170. 1OIQ, HDU
    Cyclin-dependent kinase 2
    Imidazo[1,2-a]pyridine deriv. 2
    5.25 - 10.73
    3 - 95000
    13
  171. 1OIR, HDY
    Cyclin-dependent kinase 2
    Imidazo[1,2-a]pyridine deriv. 6
    6.84 - 9.75
    3 - 8800
    10
  172. 1OIU, N76
    Cyclin A2
    O6-Cyclohexylmethylguanine deriv. 33
    5.39 - 9.30
    5 - 6800
    12
  173. 1OIY, N41
    Cyclin A2
    O6-Cyclohexylmethylguanine deriv. 34
    8.99 - 10.84
    64 - 970
    11
  174. 1ONP, FOM
    1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR)
    CHEMBL203125
    5.44 - 7.73
    20 - 4000000
    5
  175. 1ONY, 588
    Protein-tyrosine phosphatase 1B (PTP1B)
    Oxalylarylaminobenzoic Acid Analog 17
    10.43 - 19.02
    126 - 100000
    13
  176. 1ONZ, 968
    Protein-tyrosine phosphatase 1B (PTP1B)
    Oxalylarylaminobenzoic Acid Analog 8b
    9.61 - 16.05
    631 - 1700000
    11
  177. 1OPJ, STI
    ABL
    Imatinib, 21
    11.00 - 17.73
    9 - 11
    2
  178. 1OQ5, CEL
    Carbonic anhydrase 2
    CELECOXIB
    2.14 - 7.29
    8 - 100000
    11
  179. 1P2A, 5BN
    Cyclin-dependent kinase 2
    trisubstituted naphthostyril analogue 7b
    5.66 - 11.17
    5 - 5500
    15
  180. 1P4R, AMZ
    AICAR Tfase
    AICAR
    5.71 - 8.95
    230 - 100000
    2
  181. 1P6K, DP1
    Nitric Oxide Synthase, brain Mutant (D597N)
    CHEMBL44833
    7.09 - 7.79
    21000 - 67000
    3
  182. 1PBQ, DK1
    Glutamate (NMDA) receptor subunit zeta 1
    CHEMBL50267
    3.84 - 11.31
    14 - 1000000
    13
  183. 1PF8, SU9
    Cyclin-dependent kinase 2
    cid_5289419
    2.86 - 9.55
    3 - 5355
    15
  184. 1PH0, 418
    Protein-tyrosine phosphatase 1B (PTP1B)
    CHEMBL325029
    12.91 - 22.08
    18 - 17300
    7
  185. 1PKD, UCN
    Cyclin A2
    UCN-01
    7.23 - 10.79
    6 - 680
    10
  186. 1PL0, AMZ
    AICAR Tfase
    AICAR
    8.60 - 9.81
    150 - 100000
    2
  187. 1PQC, 444
    Liver X Receptor beta (LXR-beta)
    T0901317
    0.20 - 7.67
    20 - 30000
    11
  188. 1PXJ, CK2
    Cyclin-dependent kinase 2
    4-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine, 1
    0.31 - 6.82
    20000 - 30300
    3
  189. 1PXL, CK4
    Cyclin-dependent kinase 2
    4-(dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, 2
    5.67 - 7.31
    80 - 20000
    13
  190. 1PXM, CK5
    Cyclin-dependent kinase 2
    2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 21
    2.53 - 5.33
    60 - 20000
    12
  191. 1PXN, CK6
    Cyclin-dependent kinase 2
    2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 25
    5.78 - 7.38
    2 - 10000
    8
  192. 1PXO, CK7
    Cyclin-dependent kinase 2
    CHEMBL298445
    0.64 - 4.90
    2 - 10000
    9
  193. 1PXP, CK8
    Cyclin-dependent kinase 2
    4-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N,1-N-dimethylbenzene-1,4-diamine, 3
    1.46 - 3.55
    45 - 20000
    12
  194. 1PYE, PM1
    Cyclin-dependent kinase 2
    aminoimidazo[1,2-a]pyridine deriv. 13
    3.33 - 7.50
    33 - 2538
    15
  195. 1Q0B, NAT
    Kinesin Spindle Protein Eg5
    CHEMBL254432
    4.17 - 7.07
    4000 - 62500
    5
  196. 1Q1M, 234
    Protein-tyrosine phosphatase 1B (PTP1B)
    Isoxazole carboxylic acid analog 1
    6.07 - 13.46
    920 - 800000
    9
  197. 1Q6J, 335
    Protein-tyrosine phosphatase 1B (PTP1B)
    Aryldifluoromethyl-Phosphonic Acid Inhibitor 2
    6.10 - 15.45
    3 - 8040
    11
  198. 1Q6K, TCO
    Cathepsin K
    CHEMBL92567
    2.00 - 4.68
    26 - 250
    2
  199. 1Q6M, P27
    Protein-tyrosine phosphatase 1B (PTP1B)
    Aryldifluoromethyl-Phosphonic Acid Inhibitor 3
    10.01 - 16.69
    3 - 8040
    10
  200. 1Q6N, P90
    Protein-tyrosine phosphatase 1B (PTP1B)
    Aryldifluoromethyl-Phosphonic Acid Inhibitor 4
    12.48 - 14.82
    5 - 4070
    12
  201. 1Q6P, 213
    Protein-tyrosine phosphatase 1B (PTP1B)
    Aryldifluoromethyl-Phosphonic Acid Inhibitor 6
    11.67 - 14.77
    3 - 8040
    11
  202. 1Q6S, 214
    Protein-tyrosine phosphatase 1B (PTP1B)
    Aryldifluoromethyl-Phosphonic Acid Inhibitor 9
    12.55 - 19.42
    3 - 5340
    12
  203. 1Q6T, 600
    Protein-tyrosine phosphatase 1B (PTP1B)
    Aryldifluoromethyl-Phosphonic Acid Inhibitor 11
    12.50 - 19.60
    3 - 5340
    14
  204. 1Q83, TZ5
    Acetylcholinesterase (AChE)
    CHEMBL117651
    6.97 - 15.22
    0.00 - 1210
    3
  205. 1QFS, ZPR
    Prolyl endopeptidase
    CHEMBL79993
    4.02 - 8.61
    0.20 - 2020
    10
  206. 1QXK, 429
    Protein-tyrosine phosphatase 1B (PTP1B)
    phosphotyrosyl mimetic 20
    11.48 - 17.77
    160 - 200000
    10
  207. 1R78, FMD
    Cyclin-dependent kinase 2
    4-alkynyl oxindole 7o
    8.66 - 11.05
    3 - 26
    16
  208. 1ROB, C2P
    RNase A
    CHEMBL582887
    1.72 - 8.38
    41 - 844200
    13
  209. 1RPF, C3P
    RNase A
    CHEMBL258728
    2.47 - 7.44
    41 - 844200
    13
  210. 1RS6, DP2
    Nitric Oxide Synthase, brain
    CHEMBL295429
    2.41 - 8.54
    74 - 17000
    5
  211. 1RS7, D7P
    Nitric Oxide Synthase, brain
    CHEMBL154221
    2.33 - 8.89
    74 - 90000
    7
  212. 1RTF, BEN
    t-Plasminogen Activator (tPA)
    CHEMBL20936
    4.77 - 6.12
    34564 - 1000000
    4
  213. 1RTS, D16
    Thymidylate synthase
    RTX
    5.91 - 6.14
    360 - 900
    2
  214. 1RZB, SO4
    Carbonic anhydrase 2
    sulfate ion
    0.44 - 3.17
    0.39 - 89000000
    3
  215. 1RZD, SO4
    Carbonic anhydrase 2
    sulfate ion
    0.21 - 3.74
    0.39 - 89000000
    3
  216. 1RZE, SO4
    Carbonic anhydrase 2
    sulfate ion
    2.94 - 5.96
    0.39 - 300000000
    4
  217. 1S2C, FLF
    17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
    Flufenamic acid
    1.50 - 4.95
    36 - 2800
    12
  218. 1S63, 778
    Protein Farnesyltransferase (PFT)
    CHEMBL279433
    2.55 - 5.80
    1390 - 8700
    4
  219. 1S9P, DES
    Estrogen-Related Receptor, gamma
    Diethylstilbestrol
    3.64 - 10.51
    130 - 1300
    7
  220. 1S9Q, OHT
    Estrogen-Related Receptor, gamma
    4-Hydroxytamoxifen
    9.32 - 12.65
    5 - 1300
    11
  221. 1SG0, STL
    Quinone reductase 2
    Resveratrol
    2.97 - 4.12
    450 - 20000
    3
  222. 1SM2, STU
    Tyrosine-protein kinase ITK
    Staurosporine
    9.16 - 10.10
    2 - 19
    2
  223. 1SNU, STU
    Tyrosine-protein kinase ITK
    Staurosporine
    9.38 - 11.08
    2 - 19
    2
  224. 1SO2, 666
    Phosphodiesterase Type 3 (PDE3B)
    MERCK1
    6.21 - 8.88
    0.11 - 21
    15
  225. 1SQT, UI3
    Urokinase (uPA)
    CHEMBL321944
    8.68 - 9.76
    630 - 4500
    3
  226. 1T40, ID5
    Aldose reductase
    CHEMBL399598
    9.20 - 10.01
    11 - 35
    3
  227. 1T4J, FRJ
    Protein-tyrosine phosphatase 1B (PTP1B)
    CHEMBL1232829
    1.75 - 5.65
    1100 - 38000
    4
  228. 1T69, SHH
    Histone Deacetylase 8 (HDAC8)
    cid_5311
    4.22 - 6.06
    232 - 100000
    3
  229. 1T9N, SO4
    Carbonic anhydrase 2
    sulfate ion
    3.65 - 6.03
    0.39 - 300000000
    4
  230. 1TDU, CB3
    Thymidylate synthase
    CHEMBL265510
    4.50 - 8.64
    5 - 180000
    10
  231. 1TFQ, 998
    X-linked inhibitor of apoptosis
    Capped Tripeptide Analog 2
    4.59 - 8.49
    12 - 9500
    14
  232. 1TFT, 997
    X-linked inhibitor of apoptosis
    Capped Tripeptide Analog 10
    6.20 - 10.40
    5 - 14500
    17
  233. 1TKT, H12
    HIV-1 Reverse Transcriptase RNase H
    quinolone-based inhibitor 2a
    8.29 - 9.26
    240 - 710
    4
  234. 1TKZ, H16
    HIV-1 Reverse Transcriptase RNase H
    quinolone-based inhibitor 5
    8.00 - 9.54
    240 - 710
    4
  235. 1TL1, H18
    HIV-1 Reverse Transcriptase RNase H
    quinolone-based inhibitor 6
    7.44 - 8.37
    240 - 710
    4
  236. 1TL3, H20
    HIV-1 Reverse Transcriptase RNase H
    quinolone-based inhibitor 2b
    8.20 - 9.20
    240 - 710
    4
  237. 1TQF, 32P
    beta-Secretase (BACE-1)
    L-124,671
    11.87 - 14.46
    1400 - 100000
    5
  238. 1TT1, KAI
    Glutamate receptor ionotropic kainate 2
    Kainate
    12.53 - 16.37
    2 - 12300
    16
  239. 1TTM, 667
    Carbonic anhydrase 2
    667-COUMATE
    0.62 - 5.11
    15 - 100000
    11
  240. 1TV5, A26
    Dihydroorotate Dehydrogenase (DHODH)
    Alpha-cyano-beta-hydroxy enamide, 1
    0.76 - 8.39
    480 - 28000
    15
  241. 1U1B, PAX
    RNase A
    CHEMBL504858
    2.59 - 13.48
    27 - 423000
    12
  242. 1U9V, IHE
    Cathepsin K
    NVP-ABE854
    1.50 - 2.13
    6 - 10
    2
  243. 1U9X, IHJ
    Cathepsin K
    CHEMBL188139
    2.00 - 5.94
    7 - 10
    2
  244. 1UDT, VIA
    Phosphodiesterase Type 5 (PDE5A)
    Sildenafil#
    8.41 - 12.25
    0.94 - 500
    15
  245. 1UDU, CIA
    Phosphodiesterase Type 5 (PDE5A)
    Tadalafil
    7.57 - 12.16
    1.00 - 164
    17
  246. 1UHO, VDN
    Phosphodiesterase Type 5 (PDE5A)
    Vardenafil
    6.34 - 9.65
    0.20 - 19
    7
  247. 1UK0, FRM
    Poly [ADP-ribose] polymerase-1
    quinazolinone analogue, 1e
    4.97 - 11.09
    8 - 8400
    12
  248. 1UK1, FRQ
    Poly [ADP-ribose] polymerase-1
    quinazolidinone analogue, 2b
    5.51 - 10.97
    8 - 8400
    12
  249. 1UNL, RRC
    p35
    (R)-Roscovitine
    6.07 - 9.59
    200 - 19000
    15
  250. 1UPV, 444
    Liver X Receptor beta (LXR-beta)
    T0901317
    0.82 - 6.60
    20 - 10000
    8
  251. 1UPW, 444
    Liver X Receptor beta (LXR-beta)
    T0901317
    2.48 - 7.39
    20 - 10000
    9
  252. 1UWJ, BAX
    B-Raf Protein Kinase Mutant (V600E)
    Hit compound, 8
    3.95 - 8.13
    8 - 25000
    12
  253. 1UY6, PU3
    HSP90AA1 protein
    Purine-Based Inhibitor 1
    7.26 - 10.57
    4100 - 200000
    12
  254. 1UY7, PU4
    HSP90AA1 protein
    Purine-Based Inhibitor 2
    6.37 - 10.36
    4100 - 200000
    12
  255. 1UY8, PU5
    HSP90AA1 protein
    Purine-Based Inhibitor 3
    6.52 - 8.97
    10500 - 200000
    12
  256. 1UY9, PU6
    HSP90AA1 protein
    Purine-Based Inhibitor 4
    7.19 - 10.20
    1500 - 200000
    12
  257. 1UYC, PU7
    HSP90AA1 protein
    Purine-Based Inhibitor 5
    5.43 - 9.22
    4100 - 200000
    12
  258. 1UYD, PU8
    HSP90AA1 protein
    Purine-Based Inhibitor 6
    6.44 - 10.31
    1500 - 200000
    12
  259. 1UYE, PU9
    HSP90AA1 protein
    Purine-Based Inhibitor 7
    6.66 - 10.68
    1500 - 200000
    12
  260. 1UYF, PU1
    HSP90AA1 protein
    Purine-Based Inhibitor 8
    5.73 - 9.74
    1500 - 200000
    12
  261. 1UYG, PU2
    HSP90AA1 protein
    CHEMBL324951
    6.72 - 9.06
    41000 - 200000
    6
  262. 1UYH, PU0
    HSP90AA1 protein
    Purine-Based Inhibitor 10
    6.09 - 9.41
    1500 - 200000
    12
  263. 1UYK, PUX
    HSP90AA1 protein
    Purine-Based Inhibitor 12
    5.48 - 9.13
    1500 - 200000
    12
  264. 1UYM, PU3
    Heat Shock Protein 90 (Hsp90)
    Purine-Based Inhibitor 1
    7.09 - 11.57
    10500 - 200000
    9
  265. 1VID, DNC
    Catechol O-methyltransferase
    CHEMBL168276
    5.05 - 5.81
    12 - 620
    7
  266. 1VJ3, TAB
    Dihydrofolate Reductase (DHFR)
    CHEMBL55764
    8.56 - 10.72
    53 - 11080
    15
  267. 1VJB, OHT
    Estrogen-Related Receptor, gamma
    4-Hydroxytamoxifen
    6.34 - 11.22
    5 - 1300
    11
  268. 1VM1, TAZ
    Beta-lactamase SHV-1
    TAZOBACTAM
    1.54 - 2.93
    110 - 540
    2
  269. 1VYW, 292
    Cyclin-dependent kinase 2
    PNU-292137
    4.79 - 9.00
    4 - 10000
    15
  270. 1VYZ, N5B
    Cyclin-dependent kinase 2
    3-Benzamidoaminopyrazole deriv. 4
    5.03 - 8.28
    34 - 10000
    14
  271. 1W0X, OLO
    Cyclin-dependent kinase 2
    Olomoucine
    6.38 - 9.66
    30 - 250000
    11
  272. 1W2G, THM
    Thymidylate kinase
    thymidine
    8.33 - 8.64
    27000 - 1140000
    5
  273. 1W2H, ATM
    Thymidylate kinase
    CHEBI:246419
    8.70 - 10.23
    10000 - 45000
    4
  274. 1W4O, UA3
    RNase A
    CHEMBL460901
    2.33 - 12.22
    27 - 647000
    13
  275. 1W6H, TIT
    Plasmepsin 2
    Statine-like inhibitor 16
    4.09 - 14.90
    0.50 - 256
    11
  276. 1WOK, CNQ
    Poly [ADP-ribose] polymerase-1
    quinoxaline analogue, 3b
    0.82 - 7.56
    1.00 - 131
    11
  277. 1X88, NAT
    Kinesin Spindle Protein Eg5
    CHEMBL254432
    3.28 - 7.07
    4500 - 62500
    5
  278. 1X8B, 824
    WEE1
    CHEMBL214253
    7.91 - 12.18
    67 - 40000
    16
  279. 1X8R, SC1
    5-enolpyruvylshikimate-3-phosphate synthase
    CHEBI:145958
    9.38 - 24.04
    15 - 90000000
    13
  280. 1XBB, STI
    Tyrosine Kinase Syk
    Imatinib, 21
    4.74 - 7.91
    10000 - 10000
    3
  281. 1XBC, STU
    Tyrosine Kinase Syk
    Staurosporine
    8.01 - 10.33
    7 - 1000
    4
  282. 1XBO, IX1
    Protein-tyrosine phosphatase 1B (PTP1B)
    Isoxazole carboxylic acid analog 8
    1.83 - 14.55
    920 - 800000
    9
  283. 1XLX, CIO
    Phosphodiesterase Type 4 (PDE4B)
    CHEMBL511115
    6.91 - 9.52
    25 - 960
    3
  284. 1XLZ, FIL
    Phosphodiesterase Type 4 (PDE4B)
    Filaminast
    5.80 - 8.94
    25 - 960
    3
  285. 1XM4, PIL
    Phosphodiesterase Type 4 (PDE4B)
    Piclamilast
    6.68 - 7.08
    0.04 - 0.84
    2
  286. 1XM6, 5RM
    Phosphodiesterase Type 4 (PDE4B)
    (R,S)-Mesopram
    8.05 - 8.08
    420 - 570
    2
  287. 1XMU, ROF
    Phosphodiesterase Type 4 (PDE4B)
    Roflumilast
    5.41 - 6.95
    0.04 - 0.84
    2
  288. 1XMY, ROL
    Phosphodiesterase Type 4 (PDE4B)
    CHEMBL325795
    5.76 - 7.14
    25 - 960
    3
  289. 1XN0, ROL
    Phosphodiesterase Type 4 (PDE4B)
    CHEMBL325795
    5.59 - 7.08
    25 - 960
    4
  290. 1XO2, FSE
    CDK6
    Fisetin, 15
    4.25 - 6.95
    80 - 300000
    7
  291. 1XON, PIL
    Phosphodiesterase Type 4 (PDE4D)
    Piclamilast
    6.79 - 6.98
    0.02 - 0.68
    2
  292. 1XOQ, ROF
    Phosphodiesterase Type 4 (PDE4D)
    Roflumilast
    6.75 - 7.81
    0.02 - 0.68
    2
  293. 1XOS, VIA
    Phosphodiesterase Type 4 (PDE4B)
    Sildenafil#
    8.17 - 8.43
    3800 - 20000
    2
  294. 1XOT, VDN
    Phosphodiesterase Type 4 (PDE4B)
    Vardenafil
    9.39 - 10.36
    3800 - 20000
    2
  295. 1XPZ, 4TZ
    Carbonic anhydrase 2
    dual aromatase-sulfatase inhibitor 4
    2.47 - 4.95
    27 - 1000
    3
  296. 1XQ0, 4TR
    Carbonic anhydrase 2
    dual aromatase-sulfatase inhibitor 7
    2.42 - 4.16
    27 - 1000
    3
  297. 1XWS, BI1
    PIM1
    BIM-1
    8.96 - 11.54
    10 - 200
    4
  298. 1XZX, T3
    Thyroid Hormone Receptor (TR-beta)
    3,5,3'-triiodo-L-thyronine (T3)
    6.59 - 9.72
    0.02 - 271
    6
  299. 1Y2D, 4DE
    Phosphodiesterase Type 4 (PDE4D)
    Pyrazole carboxylic ester 17
    4.66 - 6.64
    19 - 97000
    13
  300. 1Y2E, 5DE
    Phosphodiesterase Type 4 (PDE4D)
    Pyrazole carboxylic ester 19
    4.58 - 6.84
    19 - 97000
    13
  301. 1Y2H, 6DE
    Phosphodiesterase Type 4 (PDE4B)
    Pyrazole carboxylic ester 20
    2.54 - 5.94
    33 - 160000
    13
  302. 1Y2J, 7DE
    Phosphodiesterase Type 4 (PDE4B)
    Pyrazole carboxylic ester 21
    3.81 - 8.61
    33 - 160000
    13
  303. 1Y57, MPZ
    Tyrosine-protein kinase SRC
    CHEMBL56904
    7.05 - 10.32
    7800 - 100000
    14
  304. 1Y6Q, TDI
    Methylthioadenosine Nucleosidase(MTAN)
    (3R,4S)-1-[(9-Deazaadenin-9-yl)methyl]-3-hydroxy-4-methylthiomethylpyrrolidine, 7
    11.78 - 16.30
    0.00 - 2
    12
  305. 1Y8Y, CT7
    Cyclin-dependent kinase 2
    sulfonylphenylamino analogue 8a
    2.46 - 9.99
    7 - 2100
    15
  306. 1Y91, CT9
    Cyclin-dependent kinase 2
    pyrazolo[1,5-a]pyrimidine 9a
    7.32 - 11.52
    2 - 2100
    15
  307. 1YHS, STU
    PIM1
    Staurosporine
    8.78 - 10.94
    3 - 150
    3
  308. 1YKR, 628
    Cyclin-dependent kinase 2
    aminoimidazo[1,2-a]pyridine deriv. 2i
    2.45 - 7.05
    52 - 20000
    15
  309. 1YRS, L47
    Kinesin Spindle Protein Eg5
    3,5-diaryl-4,5-dihydropyrazole, 2
    4.36 - 6.86
    51 - 450
    2
  310. 1YZ3, SKA
    Phenylethanolamine N-Methyltransferase (PNMT)
    SKF 64139
    1.43 - 10.58
    3 - 10000
    15
  311. 1Z3N, 3NA
    Aldose Reductase (ALR2)
    Lidorestat
    9.41 - 11.65
    5 - 163
    15
  312. 1Z89, 62P
    Aldose Reductase (ALR2)
    Pyridazinone
    6.31 - 8.90
    0.84 - 230
    12
  313. 1Z8A, 62P
    Aldose Reductase (ALR2)
    Pyridazinone
    5.92 - 9.29
    0.84 - 230
    12
  314. 1Z9Y, FUN
    Carbonic anhydrase 2
    Furosemide, 4
    5.55 - 8.64
    65 - 22000
    5
  315. 1ZD4, NC6
    Epoxide hydratase
    CHEMBL434374
    3.62 - 9.14
    2 - 500000
    14
  316. 1ZE8, PIU
    Carbonic anhydrase 2
    pyridinium deriv. 10
    4.89 - 7.89
    8 - 419
    13
  317. 1ZFK, NR2
    Carbonic anhydrase 2
    CHEMBL78755
    0.13 - 4.76
    2 - 9600
    13
  318. 1ZFK, SO4
    Carbonic anhydrase 2
    sulfate ion
    0.82 - 3.13
    0.39 - 89000000
    3
  319. 1ZFQ, ZEC
    Carbonic anhydrase 2
    aromatic/heteroaromatic sulfonamide 19
    0.83 - 6.55
    1.00 - 111173173
    13
  320. 1ZGE, SDA
    Carbonic anhydrase 2
    halogenosulfanilamide deriv. 9
    3.23 - 4.72
    0.22 - 9099133
    13
  321. 1ZGF, TRU
    Carbonic anhydrase 2
    trichloromethiazide, 6
    5.45 - 9.70
    9 - 290000
    9
  322. 1ZNC, SO4
    Carbonic Anhydrase IV
    sulfate ion
    1.62 - 1.72
    9000000 - 44000000
    3
  323. 1ZP5, 2NI
    Matrix Metalloproteinase-8 (MMP-8)
    CHEMBL200435
    9.25 - 9.64
    120000 - 1200000
    2
  324. 1ZQ5, E04
    17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
    CHEMBL521703
    5.10 - 12.18
    3 - 107
    13
  325. 1ZS0, EIN
    Matrix Metalloproteinase-8 (MMP-8)
    alpha-arylsulfonylamino phosphonate 1S
    8.60 - 10.72
    0.37 - 810
    14
  326. 1ZVX, FIN
    Matrix Metalloproteinase-8 (MMP-8)
    alpha-arylsulfonylamino phosphonate 1R
    10.11 - 12.51
    0.37 - 810
    14
  327. 1ZZQ, DP9
    Nitric Oxide Synthase, brain Mutant (D597N)
    N omega-Nitro-L-Arginine-Containing Dipeptide, 2
    5.61 - 7.19
    21000 - 67000
    3
  328. 2A3A, TEP
    Chitinase
    Theophylline (1,3-dimethylxanthine)
    1.31 - 7.63
    4800 - 1500000
    6
  329. 2A3B, CFF
    Chitinase
    Caffeine (1,3,7-trimethylxanthine)
    2.06 - 6.48
    4800 - 1500000
    6
  330. 2A3C, PNX
    Chitinase
    1-(5-Oxohexyl)theobromine (pentoxifylline)
    5.54 - 11.26
    4800 - 1500000
    6
  331. 2A4L, RRC
    Cyclin-dependent kinase 2
    (R)-Roscovitine
    6.32 - 10.28
    30 - 250000
    11
  332. 2AA9, SKM
    5-enolpyruvylshikimate-3-phosphate synthase
    CHEMBL290345
    8.32 - 16.99
    1500 - 90000000
    14
  333. 2AAY, SKM
    5-enolpyruvylshikimate-3-phosphate synthase
    CHEMBL290345
    4.09 - 16.45
    1500 - 90000000
    14
  334. 2AFW, AHN
    Glutaminyl cyclase
    Imidazole C-4(5) deriv. 1
    2.16 - 5.15
    1698 - 1530000
    6
  335. 2AFX, 1BN
    Glutaminyl cyclase
    1-Benzylimidazole (BI)
    2.50 - 5.44
    262 - 174000
    4
  336. 2AFZ, NVI
    Glutaminyl cyclase
    Imidazole N-1 deriv. 3
    2.73 - 4.31
    30000 - 49000
    2
  337. 2AOT, SAH
    Histamine N-methyltransferase
    CHEMBL418052
    12.56 - 13.23
    10400 - 59800
    2
  338. 2AQ7, TL5
    3-oxoacyl-[acyl-carrier-protein] synthase 1
    CHEMBL382200
    3.95 - 6.63
    20000 - 1000000
    12
  339. 2AUX, CT1
    Cathepsin K
    CHEMBL113948
    1.65 - 3.76
    0.13 - 270
    15
  340. 2AUZ, CT2
    Cathepsin K
    CHEMBL117658
    0.83 - 5.05
    0.13 - 100
    14
  341. 2AYP, 43A
    Checkpoint kinase-1 (CHK1)
    indolinone analog 13
    8.22 - 12.40
    7 - 50000
    13
  342. 2AZR, 982
    Protein-tyrosine phosphatase 1B (PTP1B)
    pyridothiophene inhibitor 1
    9.37 - 11.47
    11000 - 2500000
    15
  343. 2B07, 598
    Protein-tyrosine phosphatase 1B (PTP1B)
    thienobenzothiophene 29
    9.20 - 13.01
    0.68 - 280000
    15
  344. 2B0M, 201
    Dihydroorotate Dehydrogenase (DHODH)
    AMX02
    3.90 - 8.74
    2800 - 100000
    7
  345. 2B52, D42
    Cyclin-dependent kinase 2
    C3 heterocyle indenopyrazole 8q
    5.03 - 10.24
    4 - 36
    15
  346. 2B53, D23
    Cyclin-dependent kinase 2
    6-substituted quinazoline 51
    3.32 - 5.05
    545 - 12000
    15
  347. 2B54, D05
    Cyclin-dependent kinase 2
    pyrazolo[3,4-d]pyrimidin-4-one deriv. 22s
    7.89 - 9.10
    14 - 120
    15
  348. 2B55, D31
    Cyclin-dependent kinase 2
    Indenopyrazole 13q
    6.64 - 11.42
    15 - 3500
    15
  349. 2B8L, 5HA
    beta-Secretase (BACE-1)
    L-000384950
    12.75 - 20.93
    10 - 4630
    15
  350. 2B8V, 3BN
    beta-Secretase (BACE-1)
    L-000430469
    12.05 - 20.04
    10 - 5900
    15
  351. 2BDJ, HET
    Tyrosine-protein kinase SRC
    2,6,9-Trisubstitute purine, 6 (AP23464)
    3.93 - 12.34
    0.45 - 385
    10
  352. 2BGD, T1D
    Protein-tyrosine phosphatase 1B (PTP1B)
    CHEMBL193233
    9.94 - 11.28
    2470 - 132000
    2
  353. 2BKT, RPF
    Renin
    CHEMBL434956
    13.95 - 17.80
    0.42 - 606
    10
  354. 2BKZ, SBC
    Cyclin-dependent kinase 2
    dihydro-benzodipyrazole deriv. 7a
    6.85 - 11.82
    0.30 - 200
    15
  355. 2BL9, CP6
    Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
    Pyrimethamine (Pyr)
    4.32 - 7.26
    0.03 - 230
    15
  356. 2BLA, CP6
    Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
    Pyrimethamine (Pyr)
    3.28 - 6.53
    0.08 - 63
    15
  357. 2BLB, CP7
    Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
    P20
    3.77 - 6.41
    0.03 - 230
    15
  358. 2BLC, CP7
    Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
    P20
    2.83 - 7.50
    0.08 - 63
    15
  359. 2BPM, 529
    Cyclin-dependent kinase 2
    3-Aminopyrazole deriv. 27
    2.86 - 7.31
    11 - 10000
    15
  360. 2BXV, 3FT
    Dihydroorotate Dehydrogenase (DHODH)
    Compound 3
    8.35 - 10.14
    11 - 5700
    9
  361. 2C5N, CK8
    Cyclin A2
    4-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N,1-N-dimethylbenzene-1,4-diamine, 3
    5.01 - 6.94
    45 - 20000
    12
  362. 2C5O, CK2
    Cyclin A2
    4-(dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine, 1
    4.08 - 7.96
    80 - 30300
    13
  363. 2C5V, CK4
    Cyclin A2
    4-(dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, 2
    6.56 - 8.05
    80 - 20000
    13
  364. 2C68, CT6
    Cyclin-dependent kinase 2
    pyrazolo[1,5-a]pyrimidine 4
    3.81 - 8.58
    2 - 26000
    3
  365. 2C69, CT8
    Cyclin-dependent kinase 2
    triazolo[1,5-a]pyrimidine 3
    8.21 - 9.27
    1800 - 26000
    2
  366. 2C6I, DT1
    Cyclin-dependent kinase 2
    triazolo[1,5-a]pyrimidine 5
    1.79 - 11.60
    1.00 - 11000
    14
  367. 2C6K, DT2
    Cyclin-dependent kinase 2
    triazolo[1,5-a]pyrimidine 11
    6.58 - 10.11
    7 - 730
    9
  368. 2C6L, DT4
    Cyclin-dependent kinase 2
    triazolo[1,5-a]pyrimidine 14
    3.80 - 10.99
    7 - 7400
    11
  369. 2C6M, DT5
    Cyclin-dependent kinase 2
    triazolo[1,5-a]pyrimidine 6
    2.36 - 11.10
    1.00 - 11000
    15
  370. 2C6O, 4SP
    Cyclin-dependent kinase 2
    NU6102
    7.62 - 10.74
    5 - 6800
    13
  371. 2C6T, DT5
    Cyclin A2
    triazolo[1,5-a]pyrimidine 6
    7.59 - 10.84
    1.00 - 11000
    15
  372. 2CBD, SO3
    Carbonic anhydrase 2
    sulfamic acid
    5.67 - 5.67
    200 - 300000000
    2
  373. 2CLX, F18
    Cyclin-dependent kinase 2
    CAN508
    1.60 - 2.89
    20000 - 100000
    4
  374. 2CM7, IZD
    Protein-tyrosine phosphatase 1B (PTP1B)
    IZD 2
    8.63 - 14.69
    35 - 100000
    14
  375. 2CM8, F16
    Protein-tyrosine phosphatase 1B (PTP1B)
    IZD 1
    3.57 - 10.01
    65 - 3000
    3
  376. 2CMA, F20
    Protein-tyrosine phosphatase 1B (PTP1B)
    IZD 3
    7.72 - 15.04
    35 - 100000
    14
  377. 2CMB, F17
    Protein-tyrosine phosphatase 1B (PTP1B)
    IZD 4
    2.61 - 12.76
    35 - 100000
    9
  378. 2CMC, DFM
    Protein-tyrosine phosphatase 1B (PTP1B)
    Difluoromethylphosphonic acid (DFMP) deriv. 11
    10.55 - 16.27
    2 - 33000
    13
  379. 2CNE, DFJ
    Protein-tyrosine phosphatase 1B (PTP1B)
    Difluoromethylphosphonic acid (DFMP) deriv. 1
    2.50 - 19.40
    2 - 650000
    12
  380. 2CNF, F32
    Protein-tyrosine phosphatase 1B (PTP1B)
    Isothiazolidinone (IZD) deriv. 2
    6.97 - 11.04
    240 - 10000
    18
  381. 2CNG, IZE
    Protein-tyrosine phosphatase 1B (PTP1B)
    Isothiazolidinone (IZD) deriv. 3
    7.74 - 13.08
    35 - 3200
    13
  382. 2CNH, IZB
    Protein-tyrosine phosphatase 1B (PTP1B)
    Isothiazolidinone (IZD) deriv. 4
    5.81 - 11.73
    32 - 300
    15
  383. 2D0T, PIM
    Indoleamine 2,3-Dioxygenase
    4-Phenylimidazole
    0.99 - 4.24
    4800 - 1800000
    13
  384. 2DC6, 73V
    Cathepsin B
    epoxysuccinyl derivative 7
    2.84 - 7.43
    23 - 68000
    13
  385. 2DC7, 042
    Cathepsin B
    epoxysuccinyl derivative 4
    3.20 - 8.79
    23 - 68000
    11
  386. 2DC8, 59A
    Cathepsin B
    epoxysuccinyl derivative 1
    4.26 - 7.53
    23 - 68000
    10
  387. 2DC9, 74M
    Cathepsin B
    epoxysuccinyl derivative 6
    0.75 - 7.33
    23 - 68000
    14
  388. 2DCA, 75V
    Cathepsin B
    epoxysuccinyl derivative 2
    4.59 - 9.77
    23 - 68000
    12
  389. 2DCB, 76V
    Cathepsin B
    epoxysuccinyl derivative 3
    3.85 - 9.71
    23 - 68000
    12
  390. 2DCC, 77B
    Cathepsin B
    epoxysuccinyl derivative 8
    0.86 - 7.00
    23 - 400000
    13
  391. 2DCD, 78A
    Cathepsin B
    epoxysuccinyl derivative 5
    4.02 - 7.91
    23 - 68000
    11
  392. 2DY5, 224
    Heme Oxygenase 1 (HO-1)
    CHEMBL495072
    3.05 - 4.43
    700 - 21000
    14
  393. 2E93, B29
    Geranylgeranyl pyrophosphate synthase
    bisphosphonate, 8
    9.60 - 10.77
    30 - 280
    2
  394. 2E95, B75
    Geranylgeranyl pyrophosphate synthase
    bisphosphonate, 6
    4.12 - 5.41
    30 - 200
    3
  395. 2E9N, 76A
    Checkpoint kinase-1 (CHK1)
    CHEMBL438485
    4.09 - 10.04
    0.24 - 10000
    12
  396. 2E9O, A58
    Checkpoint kinase-1 (CHK1)
    CHEMBL242737
    3.08 - 7.75
    6 - 10000
    15
  397. 2E9P, 77A
    Checkpoint kinase-1 (CHK1)
    macrocyclic inhibitor 4
    3.61 - 10.02
    0.30 - 28
    11
  398. 2E9U, A25
    Checkpoint kinase-1 (CHK1)
    macrocyclic inhibitor 5a
    3.58 - 8.37
    0.30 - 10000
    15
  399. 2E9V, 85A
    Checkpoint kinase-1 (CHK1)
    macrocyclic inhibitor 17h
    6.09 - 8.47
    2 - 266
    15
  400. 2EGH, FOM
    1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR)
    CHEMBL203125
    6.46 - 7.82
    20 - 4000000
    6
  401. 2ETM, 7PY
    Tyrosine Kinase FAK
    CHEMBL205098
    6.28 - 10.10
    4 - 10000
    15
  402. 2EWP, TXF
    Estrogen-Related Receptor, gamma
    GSK 5182
    10.78 - 13.17
    10 - 1300
    8
  403. 2F1O, DTC
    Quinone Reductase 1
    CHEMBL43154
    1.13 - 5.13
    0.18 - 82000
    9
  404. 2F6T, 1C2
    Protein-tyrosine phosphatase 1B (PTP1B)
    Tetrahydroisoquinoline (TIQ) deriv. 3
    10.11 - 12.07
    4800 - 500000
    14
  405. 2F6Z, UN5
    Protein-tyrosine phosphatase 1B (PTP1B)
    Tetrahydroisoquinoline (TIQ) deriv. 10i
    4.02 - 13.75
    2500 - 285700
    14
  406. 2F70, UN6
    Protein-tyrosine phosphatase 1B (PTP1B)
    benzyl amine deriv. 11
    2.29 - 13.25
    33500 - 224800
    7
  407. 2F71, UN7
    Protein-tyrosine phosphatase 1B (PTP1B)
    Tetrahydroisoquinoline (TIQ) deriv. 10j
    10.77 - 14.59
    2500 - 285700
    15
  408. 2F7O, MSN
    Golgi alpha-mannosidase II
    CHEMBL9623
    8.23 - 8.45
    36 - 76
    2
  409. 2F94, BFQ
    Farnesyl diphosphate synthase
    Bisphosphonate 2
    8.16 - 11.78
    1.00 - 8450
    12
  410. 2FJN, 073
    Protein-tyrosine phosphatase 1B (PTP1B)
    benzotriazole phenyldifluoromethylphosphonic acid compound 1
    6.10 - 15.55
    3 - 8040
    10
  411. 2FKY, N2T
    Kinesin Spindle Protein Eg5
    dihydropyrrole, 13
    6.58 - 11.09
    2 - 123
    15
  412. 2FL2, N4T
    Kinesin Spindle Protein Eg5
    dihydropyrrole, 19
    4.86 - 8.52
    0.50 - 4000
    15
  413. 2FL6, N5T
    Kinesin Spindle Protein Eg5
    dihydropyrrole, 6
    4.84 - 9.72
    2 - 4000
    15
  414. 2FME, 3QC
    Kinesin Spindle Protein Eg5
    tetrahydroisoquinoline (THIQ), 32
    5.32 - 9.50
    104 - 25000
    15
  415. 2FOI, JPA
    Enoyl-ACP Reductase (PfENR)
    Triclosan derivative, 15
    2.35 - 5.32
    49 - 33000
    11
  416. 2FPT, ILB
    Dihydroorotate Dehydrogenase (DHODH)
    Compound 4
    10.45 - 11.71
    11 - 1700
    9
  417. 2FPV, ILC
    Dihydroorotate Dehydrogenase (DHODH)
    Biphenyl-4-ylcarbamoyl Thiophene Analog 5
    7.29 - 11.68
    1.00 - 1000
    15
  418. 2FPY, ILF
    Dihydroorotate Dehydrogenase (DHODH)
    Compound 7
    8.51 - 12.03
    1.00 - 1000
    15
  419. 2FS8, C3A
    Tryptase
    CRA25
    5.58 - 9.85
    3 - 590
    8
  420. 2FS9, C4A
    Tryptase
    CRA23
    7.90 - 11.21
    3 - 590
    8
  421. 2FVD, LIA
    Cyclin-dependent kinase 2
    R547
    8.80 - 11.39
    2 - 10000
    14
  422. 2FXR, C3A
    Tryptase
    CRA25
    9.85 - 12.29
    3 - 590
    8
  423. 2G19, 4HG
    Egl nine homolog 1
    CHEMBL509064
    7.08 - 9.84
    80 - 100000
    5
  424. 2G1M, 4HG
    Egl nine homolog 1
    CHEMBL509064
    4.55 - 9.65
    80 - 100000
    5
  425. 2G1O, 2IG
    Renin
    diaminopyrimidine renin inhibitor compound, 4
    8.82 - 11.85
    58 - 6560
    11
  426. 2G1R, 3IG
    Renin
    1,4-benzoxazin-3-one, 20
    7.83 - 13.06
    0.80 - 1040
    14
  427. 2G1S, 4IG
    Renin
    1,4-benzoxazin-3-one, 17
    5.95 - 13.91
    7 - 1080
    13
  428. 2G1Y, 5IG
    Renin
    1,4-benzoxazin-3-one, 19
    8.69 - 11.95
    20 - 3900
    15
  429. 2G24, 7IG
    Renin
    diaminopyrimidine renin inhibitor compound, 1
    10.07 - 12.66
    58 - 27000
    13
  430. 2G70, HNT
    Phenylethanolamine N-Methyltransferase (PNMT)
    CHEMBL59441
    6.41 - 9.71
    16 - 4400
    11
  431. 2G71, FTS
    Phenylethanolamine N-Methyltransferase (PNMT)
    7-sulfonamide-THIQ 18
    7.06 - 11.16
    28 - 66000
    9
  432. 2G72, F21
    Phenylethanolamine N-Methyltransferase (PNMT)
    CHEMBL177749
    8.88 - 9.64
    560 - 36000
    5
  433. 2G8N, F83
    Phenylethanolamine N-Methyltransferase (PNMT)
    7-sulfonamide-THIQ 15
    8.25 - 11.14
    39 - 890000
    7
  434. 2GD8, PO1
    Carbonic anhydrase 2
    oestrogen deriv. 11
    0.71 - 4.89
    9 - 526
    11
  435. 2GH5, ELI
    Glutathione reductase
    CHEMBL135287
    3.45 - 6.56
    500 - 27000
    4
  436. 2GNH, H52
    cAMP-Dependent Protein Kinase (PKA) Mutant PKAR5
    H-1152P
    5.65 - 8.00
    149 - 2280
    2
  437. 2GNI, M77
    cAMP-Dependent Protein Kinase (PKA) Mutant PKAR5
    Fasudil (HA-1077)
    7.84 - 8.91
    149 - 2280
    2
  438. 2GNL, H52
    cAMP-Dependent Protein Kinase (PKA) Mutant PKAR3
    H-1152P
    6.45 - 8.15
    58 - 870
    2
  439. 2GPV, OHT
    Estrogen-Related Receptor, gamma
    4-Hydroxytamoxifen
    11.57 - 14.96
    5 - 1300
    11
  440. 2GSS, EAA
    Glutathione S-transferase Pi
    CHEMBL456
    0.59 - 6.36
    31 - 40000
    14
  441. 2GV6, 730
    Matriptase
    3-amidinophenylalanine deriv., 8
    7.26 - 10.80
    9 - 340
    15
  442. 2H15, B19
    Carbonic anhydrase 2
    Topiramate Sulfamide Analogue 8
    8.38 - 10.08
    24 - 100000
    3
  443. 2H42, VIA
    Phosphodiesterase Type 5 (PDE5A)
    Sildenafil#
    7.87 - 12.77
    0.94 - 500
    15
  444. 2H44, 7CA
    Phosphodiesterase Type 5 (PDE5A)
    Icarisid II
    10.43 - 16.27
    160 - 1700
    3
  445. 2H4G, 694
    Protein-tyrosine phosphatase 1B (PTP1B)
    Monocyclic thiophene analog 17
    7.77 - 10.18
    250 - 9000
    15
  446. 2H4K, 509
    Protein-tyrosine phosphatase 1B (PTP1B)
    Monocyclic thiophene analog 11
    7.36 - 10.11
    300 - 9000
    15
  447. 2H7I, 566
    Enoyl-ACP Reductase (InhA)
    Pyrrolidine Carboxamide Compound s1
    2.82 - 6.52
    1350 - 100000
    10
  448. 2H7L, 665
    Enoyl-ACP Reductase (InhA)
    Pyrrolidine Carboxamide Compound s4
    3.04 - 6.76
    850 - 100000
    10
  449. 2H7M, 641
    Enoyl-ACP Reductase (InhA)
    Pyrrolidine Carboxamide Compound d11
    1.26 - 6.12
    390 - 100000
    10
  450. 2H7N, 744
    Enoyl-ACP Reductase (InhA)
    Pyrrolidine Carboxamide Compound d3
    2.58 - 6.08
    390 - 100000
    9
  451. 2H7P, 468
    Enoyl-ACP Reductase (InhA)
    Pyrrolidine Carboxamide Compound d8
    1.65 - 6.61
    390 - 100000
    13
  452. 2H8H, H8H
    Tyrosine-protein kinase SRC
    AZD0530
    8.40 - 12.35
    1.00 - 100
    15
  453. 2HA0, CHH
    Acetylcholinesterase (AChE)
    CHEMBL136916
    2.95 - 5.58
    3500 - 23000
    2
  454. 2HB1, 512
    Protein-tyrosine phosphatase 1B (PTP1B)
    Monocyclic thiophene analog 2
    5.61 - 11.27
    300 - 2500000
    15
  455. 2HBT, UN9
    Egl nine homolog 1
    CHEMBL426560
    5.41 - 9.07
    80 - 35000
    4
  456. 2HBU, UN9
    Egl nine homolog 1
    CHEMBL426560
    4.77 - 8.80
    80 - 100000
    5
  457. 2HD6, BOS
    Carbonic anhydrase 2
    reduced thio H5a
    3.73 - 6.83
    9 - 4975
    14
  458. 2HK5, 1BM
    HCK
    CHEMBL434369
    0.91 - 3.93
    69 - 378
    2
  459. 2HNC, 1SA
    Carbonic anhydrase 2
    aromatic/heteroaromatic sulfonamide 13
    2.61 - 5.78
    3 - 60000
    11
  460. 2HNX, PLM
    Fatty acid rwd/binding protein adipocyte
    CHEMBL82293
    8.99 - 10.17
    336 - 83000
    3
  461. 2HOC, 1CN
    Carbonic anhydrase 2
    aminobenzolamide 18
    3.84 - 4.87
    0.20 - 2000
    11
  462. 2HOG, 710
    Checkpoint kinase-1 (CHK1)
    3-(Indol-2-yl)indazole 21
    5.13 - 6.72
    0.11 - 530
    12
  463. 2HQU, DUP
    dUTP pyrophosphatase
    CHEMBL1232397
    5.18 - 16.99
    300 - 1000000
    14
  464. 2HWP, DJK
    Src Mutant (S345C)
    4-anilinoquinazoline deriv. 2
    1.06 - 3.27
    236 - 6400
    3
  465. 2HXL, 422
    Checkpoint kinase-1 (CHK1)
    CHEMBL221181
    3.88 - 8.60
    0.25 - 640
    15
  466. 2HXQ, 373
    Checkpoint kinase-1 (CHK1)
    CHEMBL221735
    7.25 - 8.94
    0.65 - 580
    11
  467. 2HY0, 306
    Checkpoint kinase-1 (CHK1)
    CHEMBL374662
    6.59 - 9.44
    0.65 - 190
    10
  468. 2HYY, STI
    ABL1(Y253F)
    Imatinib, 21
    11.59 - 15.55
    1.00 - 11000
    3
  469. 2I3I, 618
    ML-IAP-BIR
    peptide isostere, 8
    2.15 - 9.90
    50 - 4190
    3
  470. 2I4J, DRJ
    Peroxisome Proliferator-Activated Receptor gamma
    LT160 (ureidofibrate derivative), (R)-1
    11.50 - 15.31
    88 - 1978
    2
  471. 2I4P, DRH
    Peroxisome Proliferator-Activated Receptor gamma
    LT127 (ureidofibrate derivative), (S)-1
    9.08 - 9.98
    88 - 1978
    2
  472. 2I4Q, UA4
    Renin
    1,4-benzoxazin-3-one, 25
    4.39 - 12.20
    7 - 890
    9
  473. 2I4Z, DRH
    Peroxisome Proliferator-Activated Receptor gamma
    LT127 (ureidofibrate derivative), (S)-1
    13.90 - 14.04
    88 - 1978
    2
  474. 2IEH, MOY
    Kinesin Spindle Protein Eg5
    CHEMBL522806
    3.60 - 9.38
    110 - 82300
    14
  475. 2IKG, BTO
    Aldose Reductase (ALR2)
    BTB02809
    8.00 - 10.36
    530 - 17700
    3
  476. 2INE, PAC
    Aldose reductase
    Phenylacetate, XIX
    1.68 - 5.63
    1000 - 96000
    5
  477. 2INZ, OHP
    Aldose reductase
    2-Hydroxyphenylacetic acid
    2.26 - 4.63
    3500 - 96000
    3
  478. 2IPW, 2CL
    Aldose Reductase (ALR2) Mutant (C298A/W219Y)
    2,6-Dichlorophenylacetic acid
    4.16 - 5.55
    1000 - 360000
    10
  479. 2IQ0, 6NA
    Aldose reductase
    Aldehydes, C6
    5.58 - 5.86
    1000 - 68200
    2
  480. 2IRZ, I02
    beta-Secretase (BACE-1)
    L-001233771
    12.90 - 17.32
    10 - 16500
    15
  481. 2IS0, I03
    beta-Secretase (BACE-1)
    L-001151442
    11.23 - 17.40
    10 - 12500
    15
  482. 2ISF, PAC
    Aldose Reductase (ALR2) Mutant (C298A/W219Y)
    Phenylacetate, XIX
    1.82 - 4.95
    1000 - 360000
    10
  483. 2IWS, NP4
    Heat Shock Protein 90 (Hsp90)
    Microlactone, 15f cis
    0.00 - 4.95
    100 - 100000
    12
  484. 2IWU, NP5
    Heat Shock Protein 90 (Hsp90)
    Microlactone, 15f trans
    0.19 - 6.08
    100 - 100000
    10
  485. 2JBO, P4O
    MAPK-Activated Protein Kinase 2 (MK2)
    Pyrrolopyridine, 16
    1.84 - 7.64
    30 - 8900
    13
  486. 2JBP, P4O
    MAPK-Activated Protein Kinase 2 (MK2)
    Pyrrolopyridine, 16
    0.65 - 8.61
    30 - 8900
    11
  487. 2JDO, I5S
    Protein kinase B (Akt 2)
    CCT077373
    8.95 - 12.80
    210 - 12000
    15
  488. 2JFF, LK2
    MurD
    naphthalene-N-sulfonyl-D-glu derivative, 17c
    8.35 - 12.35
    170000 - 2000000
    13
  489. 2JFH, LK1
    MurD
    naphthylsulfonamide, 20
    6.61 - 10.02
    132000 - 2000000
    14
  490. 2JLE, I15
    HIV-1 Reverse Transcriptase RNase H
    Indazole Derivative, 6
    6.85 - 9.85
    25 - 30000
    8
  491. 2KCE, D16
    Thymidylate synthase
    RTX
    6.92 - 9.94
    5 - 57000
    5
  492. 2NNG, ZYX
    Carbonic anhydrase 2
    aromatic/heteroaromatic sulfonamide 6
    3.64 - 5.68
    5 - 500034535
    15
  493. 2NNO, M28
    Carbonic anhydrase 2
    sulfonamide, 3
    3.43 - 5.82
    0.05 - 500034535
    11
  494. 2NP8, CC3
    Aurora kinase A
    CHEMBL383899
    3.78 - 7.32
    13 - 10000
    12
  495. 2NSD, 4PI
    Enoyl-ACP Reductase (InhA)
    piperidine, b3
    4.66 - 7.12
    1890 - 100000
    13
  496. 2NVC, ITA
    Aldose Reductase (ALR2)
    naphtho[1,2-d]isothiazole acetic acid deriv. 3
    2.85 - 9.47
    140 - 190000
    8
  497. 2NVD, ITB
    Aldose Reductase (ALR2)
    naphtho[1,2-d]isothiazole acetic acid deriv. 2
    5.84 - 9.00
    140 - 190000
    8
  498. 2O3P, QUE
    PIM1
    Quercetin
    4.68 - 6.62
    340 - 8300
    15
  499. 2O63, MYC
    PIM1
    Myricetin, 17
    2.86 - 6.51
    340 - 8300
    15
  500. 2O64, MYU
    PIM1
    Quercetagetin
    4.75 - 6.57
    340 - 8300
    14
  501. 2O65, MYF
    PIM1
    5,7,3,4,5-pentahydroxyflavone
    3.90 - 5.21
    340 - 22000
    14
  502. 2OBJ, VRV
    PIM1
    pyridone-based compound, 1
    3.42 - 5.56
    50 - 20000
    13
  503. 2OHM, 8AP
    beta-Secretase (BACE-1)
    3-Substituted 2-Aminopyridine 5
    4.33 - 5.66
    9100 - 310000
    5
  504. 2OHP, 6IP
    beta-Secretase (BACE-1)
    6-Substituted 2-Aminopyridine 3
    5.61 - 6.53
    9100 - 2000000
    3
  505. 2OHQ, 7IP
    beta-Secretase (BACE-1)
    6-Substituted 2-Aminopyridine 4
    3.66 - 6.94
    25000 - 2000000
    3
  506. 2OHR, 8IP
    beta-Secretase (BACE-1)
    3-Substituted 2-Aminopyridine 6a
    4.84 - 7.66
    690 - 310000
    6
  507. 2OHS, 9IP
    beta-Secretase (BACE-1)
    3-Substituted 2-Aminopyridine 6b
    1.39 - 8.59
    690 - 310000
    8
  508. 2OHT, IP6
    beta-Secretase (BACE-1)
    3-Substituted 2-Aminopyridine 7
    4.40 - 10.23
    690 - 310000
    8
  509. 2OHU, IP7
    beta-Secretase (BACE-1)
    3-Substituted 2-Aminopyridine 8b
    5.04 - 10.63
    690 - 40000
    5
  510. 2OI0, 283
    TNF-alpha-Converting Enzyme
    thiol-arylsulfonamide, 4c
    5.88 - 8.48
    5 - 3400
    11
  511. 2ONY, TMJ
    Phenylethanolamine N-Methyltransferase (PNMT)
    CHEMBL286497
    6.05 - 9.83
    39 - 890000
    6
  512. 2OO8, RAJ
    Tie-2
    pyridinyl pyrimidine 39
    2.98 - 12.00
    1.00 - 1220
    13
  513. 2OPP, HBQ
    HIV-1 Reverse Transcriptase RNase H
    GW420867X
    0.30 - 8.76
    108 - 1142
    9
  514. 2OSC, MUH
    Tie-2
    CHEMBL245549
    2.29 - 10.31
    1.00 - 10000
    12
  515. 2P3G, F10
    MAPK-Activated Protein Kinase 2 (MK2)
    Pyrrolopyridine, 23
    4.40 - 6.12
    30 - 8900
    15
  516. 2P4I, MR9
    Tie-2
    pyridinyl pyrimidine 47
    1.61 - 15.08
    1.00 - 2700
    15
  517. 2P7G, 2OH
    Estrogen-Related Receptor, gamma
    Bisphenol A (BPA)
    3.80 - 6.85
    13 - 10000
    3
  518. 2P7Z, OHT
    Estrogen-Related Receptor, gamma
    4-Hydroxytamoxifen
    10.48 - 13.16
    5 - 1300
    11
  519. 2PG2, K01
    Kinesin Spindle Protein Eg5
    thiophene containing compound, 15
    4.10 - 5.72
    480 - 69000
    14
  520. 2PH6, 712
    beta-Secretase (BACE-1)
    tertiary carbinamine derived inhibitor 7
    10.89 - 16.43
    15 - 12500
    14
  521. 2PMN, K51
    Putative uncharacterized protein pk7
    CHEMBL495709
    7.23 - 9.54
    220 - 111000
    14
  522. 2POU, I7A
    Carbonic anhydrase 2
    Sulfonamide, 4
    3.20 - 6.82
    13 - 35727284
    9
  523. 2POV, I7B
    Carbonic anhydrase 2
    aromatic/heteroaromatic sulfonamide 12
    3.96 - 8.44
    9 - 35727284
    10
  524. 2POW, I7C
    Carbonic anhydrase 2
    aromatic/heteroaromatic sulfonamide 11
    4.87 - 5.55
    63 - 63000
    2
  525. 2PZY, B18
    MAPK-Activated Protein Kinase 2 (MK2)
    carboline analog, 76
    7.90 - 11.09
    10 - 250
    12
  526. 2Q1B, LSA
    Carbonic anhydrase 2
    Saccharin
    0.76 - 5.80
    12 - 5950000
    9
  527. 2Q1Q, OSP
    Carbonic anhydrase 2
    Sulthiame, 2
    3.21 - 6.39
    8 - 9000
    8
  528. 2Q2Y, MKR
    Kinesin Spindle Protein Eg5
    dihydropyrazolobenzoxazine, 1
    8.24 - 11.23
    0.40 - 800
    14
  529. 2Q2Z, MKK
    Kinesin Spindle Protein Eg5
    1,4-diaryl-4,5-dihydropyrazole, 22
    5.23 - 10.56
    0.20 - 5
    5
  530. 2Q38, LSA
    Carbonic anhydrase 2
    Saccharin
    4.37 - 5.78
    12 - 5950000
    8
  531. 2Q8Z, NUP
    Orotidine Monophosphate Decarboxylase (ODCase)
    C6-Uridine Derivative, 15
    8.92 - 14.90
    1000 - 10000000
    9
  532. 2QBP, 527
    Protein-tyrosine phosphatase 1B (PTP1B)
    CHEMBL541214
    12.22 - 14.27
    1.00 - 2000
    15
  533. 2QBQ, 4B3
    Protein-tyrosine phosphatase 1B (PTP1B)
    CHEMBL243942
    9.50 - 12.86
    3 - 3800
    15
  534. 2QBR, 910
    Protein-tyrosine phosphatase 1B (PTP1B)
    CHEMBL243731
    9.24 - 12.18
    26 - 3800
    15
  535. 2QBS, 024
    Protein-tyrosine phosphatase 1B (PTP1B)
    CHEMBL243940
    11.18 - 15.36
    7 - 3800
    15
  536. 2QLQ, SR2
    Src Mutant (S345C)
    4-anilinoquinazoline deriv. 16a
    6.80 - 7.87
    236 - 6400
    3
  537. 2QNB, BZD
    Glycogen Phosphorylase (PYGM)
    CHEMBL489799
    3.37 - 7.55
    350 - 370000
    5
  538. 2QO8, 3CC
    Carbonic anhydrase 2
    Indanesulfonamide Derivative 12a
    3.16 - 5.16
    0.90 - 128
    10
  539. 2QOA, MAJ
    Carbonic anhydrase 2
    CHEMBL364869
    3.80 - 6.57
    0.90 - 186
    9
  540. 2QQ7, SR2
    Src Mutant (S345C/T338M)
    4-anilinoquinazoline deriv. 16a
    3.77 - 4.80
    2810 - 50000
    3
  541. 2QRG, M07
    Glycogen Phosphorylase (PYGM)
    glucopyranosylidene-spiro-isoxazoline, 4a
    10.53 - 11.89
    630 - 92500
    5
  542. 2QRH, M08
    Glycogen Phosphorylase (PYGM)
    glucopyranosylidene-spiro-isoxazoline, 4c
    11.18 - 12.94
    630 - 92500
    5
  543. 2QU5, 276
    VEGFR-2 (KDR)
    2-aminobenzimidazole, 3
    7.75 - 15.22
    0.20 - 287
    15
  544. 2QU6, 857
    VEGFR-2 (KDR)
    2-aminobenzoxazole, 22
    6.97 - 13.22
    0.50 - 12
    15
  545. 2QWL, ADP
    heat shock 70kDa protein 8 isoform 1
    Adenosine Diphosphate (ADP)
    8.97 - 18.02
    110 - 17300
    4
  546. 2QWM, ADP
    heat shock 70kDa protein 8 isoform 1
    Adenosine Diphosphate (ADP)
    8.87 - 16.88
    110 - 17300
    4
  547. 2QWX, ML1
    Quinone reductase 2
    MELATONIN
    1.13 - 2.50
    3 - 53900
    5
  548. 2QX4, ML1
    Quinone reductase 2
    MELATONIN
    1.50 - 3.70
    3 - 53900
    5
  549. 2QX6, ML1
    Quinone reductase 2
    MELATONIN
    2.34 - 5.45
    3 - 53900
    5
  550. 2QX9, ML2
    Quinone reductase 2
    2-Iodomelatonin
    1.17 - 2.61
    0.09 - 1100
    5
  551. 2QZL, IXS
    beta-Secretase (BACE-1)
    psi[CH2NH] reduced amide isostere, 4b
    8.72 - 23.24
    4 - 17200
    14
  552. 2R0U, M54
    Checkpoint kinase-1 (CHK1)
    CHEMBL249441
    4.76 - 9.62
    2 - 9
    6
  553. 2R24, LDT
    Aldose reductase
    IDD 594
    8.84 - 9.17
    7 - 176
    3
  554. 2RCW, AAI
    Poly [ADP-ribose] polymerase-1
    A-620223
    6.67 - 11.19
    3 - 59
    14
  555. 2TCL, RO4
    Matrix Metalloproteinase-1 (MMP-1)
    CHEMBL92608
    6.11 - 14.40
    11 - 4360
    13
  556. 2TSR, D16
    Thymidylate synthase
    RTX
    6.27 - 6.97
    360 - 900
    2
  557. 2UUO, LK3
    MurD
    naphthalene-N-sulfonyl-D-glu derivative, 17d
    6.31 - 10.64
    132000 - 2000000
    14
  558. 2UUP, LK4
    MurD
    naphthalene-N-sulfonyl-D-glu derivative, 17o
    6.75 - 9.98
    85000 - 1000000
    11
  559. 2UW9, GVP
    Protein kinase B (Akt 2)
    pyrazole-based inhibitor 9
    6.28 - 10.17
    18 - 5200
    9
  560. 2UYI, K02
    Kinesin Spindle Protein Eg5
    thiophene containing compound, 33
    2.85 - 5.29
    480 - 69000
    15
  561. 2UYM, K03
    Kinesin Spindle Protein Eg5
    thiophene containing compound, 37
    4.33 - 7.44
    480 - 69000
    15
  562. 2UZB, C75
    Cyclin A2
    2-imino-thiazolidin-4-one analog, 6
    3.61 - 7.73
    30 - 150000
    12
  563. 2UZD, C85
    Cyclin A2
    2-imino-thiazolidin-4-one analog, 1
    3.71 - 8.15
    30 - 150000
    9
  564. 2UZE, C95
    Cyclin A2
    2-imino-thiazolidin-4-one analog, 4
    4.39 - 7.12
    30 - 150000
    11
  565. 2UZL, C94
    Cyclin A2
    2-imino-thiazolidin-4-one analog, 11
    3.26 - 7.84
    30 - 150000
    12
  566. 2UZN, C96
    Cyclin-dependent kinase 2
    2-imino-thiazolidin-4-one analog, 13
    4.28 - 7.99
    30 - 150000
    12
  567. 2UZO, C62
    Cyclin-dependent kinase 2
    thiazolidine-2,4-dione, 14
    4.27 - 8.80
    30 - 150000
    12
  568. 2V0Z, C41
    Renin
    Aliskiren
    14.56 - 18.08
    0.40 - 7
    19
  569. 2V10, C61
    Renin
    Renin nonpeptide inhibitor, 9
    9.53 - 13.95
    0.70 - 120
    14
  570. 2V11, C80
    Renin
    Renin nonpeptide inhibitor, 6
    13.12 - 14.26
    1.00 - 3
    2
  571. 2V12, C39
    Renin
    Renin nonpeptide inhibitor, 8
    3.33 - 19.19
    0.30 - 670
    13
  572. 2V13, C40
    Renin
    Renin nonpeptide inhibitor, 7
    9.70 - 15.82
    0.30 - 670
    14
  573. 2V8X, MGQ
    Eukaryotic translation initation factor
    CHEMBL1094975
    7.65 - 11.02
    28 - 85400
    14
  574. 2VB8, TLM
    3-oxoacyl-[acyl-carrier-protein] synthase 1
    CHEMBL399043
    3.87 - 8.73
    20000 - 1000000
    12
  575. 2VC2, 180
    Integrin alpha-IIb
    CHEMBL78760
    7.89 - 12.61
    0.02 - 410
    15
  576. 2VDM, AGG
    Integrin alpha-IIb
    CHEBI:9605
    9.43 - 13.07
    15 - 330000
    14
  577. 2VJ7, VG6
    beta-Secretase (BACE-1)
    hydroxyethylamine derivative, 6
    16.23 - 18.05
    3 - 380
    14
  578. 2VJX, IFL
    Beta-mannosidase
    cid_854894
    8.87 - 11.85
    975 - 9000000
    4
  579. 2VNM, CM8
    beta-Secretase (BACE-1)
    sultam hydroxyethylamine (HEA) derivative, 1
    14.57 - 17.16
    2 - 140
    15
  580. 2VNN, CM7
    beta-Secretase (BACE-1)
    tricyclic hydroxyethylamine (HEA) derivative, 8a
    15.98 - 19.59
    2 - 73
    15
  581. 2VNT, QGG
    Urokinase (uPA)
    cyclic deriv. 33
    7.66 - 10.41
    3 - 160
    16
  582. 2VO5, VBZ
    Beta-mannosidase
    (1R,4R,5R,7R,8R)-2-Benzyl-5-(hydroxymethyl)-2-azabicyclo[2.2.2]octane-4,7,8-triol, 4a
    5.22 - 11.91
    13000 - 23000000
    3
  583. 2VTD, LKM
    MurD
    naphthalene-N-sulfonyl-D-glu derivative, 17n
    8.73 - 12.49
    85000 - 1000000
    15
  584. 2VTI, LZ3
    Cyclin-dependent kinase 2
    indazole amide, 14
    2.26 - 6.31
    0.30 - 97000
    11
  585. 2VTJ, LZ4
    Cyclin-dependent kinase 2
    4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide, 10
    4.03 - 6.57
    1900 - 7000
    2
  586. 2VTL, LZ5
    Cyclin-dependent kinase 2
    pyrazole amide, 15
    0.23 - 4.89
    3 - 97000
    10
  587. 2VTN, LZ7
    Cyclin-dependent kinase 2
    pyrazole amide, 18
    5.17 - 7.41
    3 - 97000
    15
  588. 2VTO, LZ8
    Cyclin-dependent kinase 2
    pyrazole diamide, 22
    4.50 - 8.43
    3 - 85000
    15
  589. 2VTP, LZ9
    Cyclin-dependent kinase 2
    pyrazole diamide, 23
    2.87 - 8.42
    3 - 85000
    14
  590. 2VTQ, LZA
    Cyclin-dependent kinase 2
    pyrazole diamide, 28
    3.08 - 9.18
    3 - 1600
    15
  591. 2VTR, LZB
    Cyclin-dependent kinase 2
    pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 11
    4.28 - 7.91
    7 - 2000
    5
  592. 2VTS, LZC
    Cyclin-dependent kinase 2
    pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 12
    2.49 - 11.34
    4 - 2100
    10
  593. 2VTT, LZD
    Cyclin-dependent kinase 2
    pyrazole diamide, 29
    4.85 - 9.29
    3 - 1600
    15
  594. 2VU3, LZE
    Cyclin-dependent kinase 2
    AT7519
    5.43 - 9.04
    3 - 1600
    14
  595. 2VVA, SO4
    Carbonic anhydrase 2
    sulfate ion
    1.92 - 2.14
    200 - 300000000
    3
  596. 2VVB, BCT
    Carbonic anhydrase 2
    bicarbonate ion
    7.64 - 7.65
    73000000 - 73000000
    2
  597. 2W0J, ZAT
    Checkpoint Kinase (Chk2)
    NSC 109555
    3.77 - 9.68
    200 - 20000
    6
  598. 2W1D, L0D
    Aurora kinase A
    pyrazole-benzimidazole, 16
    5.85 - 7.73
    6 - 910
    5
  599. 2W1E, L0E
    Aurora kinase A
    pyrazole-benzimidazole urea analogue, 10
    2.50 - 5.71
    2 - 70
    12
  600. 2W1G, L0G
    Aurora kinase A
    pyrazole-benzimidazole urea analogue, 16
    4.66 - 7.70
    2 - 70
    7
  601. 2W2I, PD2
    Lysine-specific demethylase 4D-like
    pyridine carboxylate, 6a
    2.75 - 8.53
    1400 - 10000000
    6
  602. 2W6N, OA2
    Biotin Carboxylase
    amino-oxazole, 2c
    9.82 - 11.62
    7 - 1290
    3
  603. 2W70, L22
    Biotin Carboxylase
    amino pyrimidine, 6a
    8.41 - 9.26
    12000 - 59300
    2
  604. 2WD1, ZZY
    Hepatocyte growth factor receptor
    CHEMBL561660
    5.46 - 9.14
    11 - 5670
    15
  605. 2WD3, MS4
    Carbonic anhydrase 2
    CHEMBL592131
    5.94 - 6.56
    22 - 86
    2
  606. 2WD7, VGD
    Pteridine Reductase 1 (PTR1)
    2-aminobenzimidazole deriv., 4
    2.72 - 3.04
    10600 - 288000
    2
  607. 2WD8, VGF
    Pteridine Reductase 1 (PTR1)
    2-aminobenzimidazole deriv., 12
    4.05 - 6.05
    7 - 510
    4
  608. 2WEJ, FB2
    Carbonic anhydrase 2
    benzenesulfonamide
    1.78 - 4.79
    21 - 3388442
    8
  609. 2WEY, EV1
    Phosphodiesterase 10A1
    Papaverine
    4.79 - 7.51
    17 - 500
    12
  610. 2WF0, ZY0
    beta-Secretase (BACE-1)
    hydroxyethylamine derivative, 22
    14.10 - 17.30
    2 - 420
    15
  611. 2WF1, ZY1
    beta-Secretase (BACE-1)
    7,6,5 tricyclic sulfonamide, 22
    15.57 - 19.36
    2 - 73
    16
  612. 2WHO, VGI
    HCV NS5B Polymerase
    1H-benzo[de]isoquinoline-1,3(2H)-dione, 1
    1.88 - 5.63
    14 - 50000
    15
  613. 2WIH, P48
    Cyclin-dependent kinase 2
    pyrazolo[4,3-h]quinazoline-3-carboxamide, 28
    7.37 - 13.58
    1.00 - 363
    15
  614. 2WMU, ZYU
    Checkpoint kinase-1 (CHK1)
    purine, 9
    6.90 - 9.57
    880 - 9200
    4
  615. 2WMV, ZYV
    Checkpoint kinase-1 (CHK1)
    purine, 10
    5.09 - 7.19
    430 - 9200
    7
  616. 2WMW, ZYW
    Checkpoint kinase-1 (CHK1)
    pyrazolopyridine, 12
    7.06 - 8.58
    290 - 1200
    6
  617. 2WMX, ZY6
    Checkpoint kinase-1 (CHK1)
    pyrazolopyridine, (S)-14
    4.69 - 8.40
    290 - 3200
    9
  618. 2WOG, ZZD
    Kinesin Spindle Protein Eg5
    S-Trityl-L-Cysteine (STLC), 1
    7.65 - 10.98
    14 - 63000
    16
  619. 2WTC, VGM
    Checkpoint Kinase (Chk2)
    CHEMBL600441
    7.74 - 9.97
    270 - 4400
    14
  620. 2WTD, ZZK
    Checkpoint Kinase (Chk2)
    CHEMBL590335
    7.66 - 9.29
    270 - 4400
    14
  621. 2WTI, WTI
    Checkpoint Kinase (Chk2)
    CHEMBL602931
    5.00 - 10.25
    310 - 10000
    11
  622. 2WTJ, WTJ
    Checkpoint Kinase (Chk2)
    CHEMBL598973
    6.17 - 9.01
    700 - 3600
    3
  623. 2WWJ, Y28
    Lysine-specific demethylase 4A
    CHEMBL591689
    11.01 - 12.43
    10000 - 33000
    8
  624. 2X6E, YM4
    Aurora kinase A
    CHEMBL1236904
    1.94 - 9.33
    2 - 365
    14
  625. 2X7S, WZC
    Carbonic anhydrase 2
    CHEMBL374721
    1.26 - 5.10
    5 - 11700
    12
  626. 2X7T, WZB
    Carbonic anhydrase 2
    CHEMBL425287
    0.15 - 4.49
    5 - 526
    12
  627. 2X81, ZZL
    Aurora kinase A
    MLN8054
    8.03 - 9.19
    1.00 - 6500
    3
  628. 2X8D, X8D
    Checkpoint kinase-1 (CHK1)
    CHEMBL487274
    4.62 - 7.31
    4 - 24400
    15
  629. 2X8E, X8E
    Checkpoint kinase-1 (CHK1)
    CHEMBL1223458
    3.92 - 5.91
    4 - 24400
    15
  630. 2XAE, 2XA
    Kinesin Spindle Protein Eg5
    S-Trityl-L-Cysteine (STLC) Analogue, 49
    6.26 - 10.60
    14 - 63000
    16
  631. 2XEY, YVQ
    Checkpoint kinase-1 (CHK1)
    CHEMBL1170126
    3.56 - 6.00
    2000 - 139000
    14
  632. 2XJ1, XJ1
    PIM1
    pyrazine inhibitor, 24
    4.12 - 8.04
    0.47 - 370
    9
  633. 2XJ2, 985
    PIM1
    pyrazine inhibitor, 1
    6.06 - 9.83
    0.47 - 370
    6
  634. 2XK4, OL2
    Serine/threonine-protein kinase NEK2
    CHEMBL1234980
    6.51 - 11.57
    390 - 50000
    15
  635. 2XK7, 30E
    Serine/threonine-protein kinase NEK2
    CHEMBL1230011
    7.64 - 9.98
    200 - 38300
    15
  636. 2XK8, 5R1
    Serine/threonine-protein kinase NEK2
    CHEMBL1230435
    5.99 - 10.97
    390 - 50000
    13
  637. 2XKC, 4VQ
    Serine/threonine-protein kinase NEK2
    CHEMBL1230337
    4.95 - 8.81
    390 - 50000
    15
  638. 2XKD, T3M
    Serine/threonine-protein kinase NEK2
    CHEMBL1236145
    1.93 - 11.01
    390 - 50000
    15
  639. 2XKE, WI2
    Serine/threonine-protein kinase NEK2
    CHEMBL1236707
    6.43 - 9.05
    390 - 19800
    15
  640. 2XKF, BX1
    Serine/threonine-protein kinase NEK2
    CHEMBL1231522
    7.97 - 11.06
    390 - 18300
    15
  641. 2XNM, WGZ
    Serine/threonine-protein kinase NEK2
    benzimidazole thiophene carboxamide, 24
    5.52 - 10.39
    25 - 86000
    14
  642. 2XNO, ED8
    Serine/threonine-protein kinase NEK2
    CHEMBL1614933
    3.19 - 8.23
    25 - 86000
    13
  643. 2XNP, WCX
    Serine/threonine-protein kinase NEK2
    CHEMBL1615277
    6.58 - 11.02
    25 - 50000
    13
  644. 2XTK, AZM
    Chitinase
    Acetazolamide, AZA
    2.39 - 4.89
    164000 - 1000000
    6
  645. 2XXT, KAI
    Glutamate receptor ionotropic kainate 2
    Kainate
    13.05 - 16.31
    2 - 12300
    16
  646. 2XXV, KAI
    Glutamate receptor ionotropic kainate 2
    Kainate
    12.43 - 15.04
    2 - 12300
    16
  647. 2XXY, KAI
    Glutamate receptor ionotropic kainate 2
    Kainate
    13.56 - 16.72
    2 - 12300
    16
  648. 2Y0J, AXC
    Phosphodiesterase 10A1
    CHEMBL1641615
    4.49 - 8.16
    12 - 10000
    15
  649. 2Y33, UN9
    Egl nine homolog 1
    CHEMBL426560
    5.80 - 11.38
    80 - 100000
    5
  650. 2Y34, UN9
    Egl nine homolog 1
    CHEMBL426560
    3.91 - 7.54
    80 - 100000
    5
  651. 2YDI, YDI
    Checkpoint kinase-1 (CHK1)
    CHEMBL452021
    3.77 - 7.33
    10 - 23000
    15
  652. 2YDJ, YDJ
    Checkpoint kinase-1 (CHK1)
    CHEMBL2041933
    6.04 - 6.70
    5 - 40
    10
  653. 2YDK, YDK
    Checkpoint kinase-1 (CHK1)
    CHEMBL487273
    5.71 - 6.75
    3 - 980
    17
  654. 2YER, TQ1
    Checkpoint kinase-1 (CHK1)
    CHEMBL2012881
    5.33 - 12.56
    0.10 - 1590
    15
  655. 2YEX, YEX
    Checkpoint kinase-1 (CHK1)
    CHEMBL1223526
    5.80 - 10.45
    0.10 - 1590
    15
  656. 2YM7, YM7
    Checkpoint kinase-1 (CHK1)
    CHEMBL1928689
    5.23 - 9.21
    21 - 122000
    15
  657. 2YM8, YM8
    Checkpoint kinase-1 (CHK1)
    CHEMBL1928705
    5.25 - 11.06
    1.00 - 940
    15
  658. 2YWP, A42
    Checkpoint kinase-1 (CHK1)
    Urea Compound 2
    2.67 - 7.74
    3 - 6050
    15
  659. 2ZV2, 609
    CAMKK2
    STO-609
    9.32 - 9.64
    10 - 500
    2
  660. 3AM7, MGP
    Eukaryotic translation initation factor
    CHEMBL1094973
    6.99 - 10.29
    28 - 56800
    14
  661. 3ANL, SYC
    1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR)
    CHEMBL1615245
    5.56 - 7.05
    840 - 15900
    3
  662. 3ANM, SYD
    1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR)
    CHEMBL1615246
    5.61 - 7.88
    840 - 4600
    2
  663. 3ANN, SYE
    1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR)
    CHEMBL1615247
    6.03 - 7.81
    4600 - 15900
    2
  664. 3ANS, S38
    Epoxide hydratase
    CHEMBL1615212
    7.17 - 10.33
    1.00 - 3000
    9
  665. 3ANT, S82
    Epoxide hydratase
    CHEMBL1615216
    6.81 - 8.52
    4 - 1200
    14
  666. 3AYK, CGS
    Matrix Metalloproteinase-1 (MMP-1)
    CGS 27023A
    4.68 - 6.59
    15 - 1156
    12
  667. 3B2R, VDN
    Phosphodiesterase Type 5 (PDE5A)
    Vardenafil
    6.75 - 10.78
    0.20 - 50
    10
  668. 3B4F, TUO
    Carbonic anhydrase 2
    indole sulfonamide, L
    4.56 - 6.98
    7 - 61
    14
  669. 3B92, 440
    TNF-alpha-Converting Enzyme
    thiol-aryl sulfone, 8b
    7.30 - 8.54
    8 - 56
    7
  670. 3BBT, FMM
    ERBB4
    cid_208908
    6.16 - 9.83
    54 - 1718
    4
  671. 3BE2, RAJ
    VEGFR-2 (KDR)
    pyridinyl pyrimidine 39
    3.50 - 11.39
    2 - 25000
    12
  672. 3BGP, VX1
    PIM1
    benzisoxazole-pyrimidine, 2
    3.59 - 5.64
    91 - 91
    2
  673. 3BGQ, VX2
    PIM1
    triazolopyridazine compound, 1
    3.13 - 7.98
    11 - 3300
    15
  674. 3BGZ, VX3
    PIM1
    diphenylindole carboxylic acid, 3
    3.73 - 7.35
    530 - 2800
    4
  675. 3BIZ, 61E
    WEE1
    CHEMBL410261
    11.01 - 14.40
    15 - 75
    8
  676. 3BL1, BL1
    Carbonic anhydrase 2
    Indapamide
    3.51 - 6.01
    26 - 1260
    14
  677. 3BSC, 2PD
    HCV NS5B Polymerase
    pyridazinone derivative, 3
    6.83 - 10.92
    10 - 33000
    15
  678. 3C0Z, SHH
    Histone Deacetylase 7 (HDAC7)
    cid_5311
    0.75 - 7.00
    21000 - 100000
    7
  679. 3C2L, F2A
    DNA polymerase beta
    CHEMBL1162297
    9.59 - 14.17
    600 - 200000
    4
  680. 3C2M, F2A
    DNA polymerase beta
    CHEMBL1162297
    11.33 - 14.13
    600 - 200000
    5
  681. 3C3U, C2U
    20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1)
    3,5-dichlorosalicylic acid
    0.05 - 5.58
    0.86 - 2300
    5
  682. 3C7N, ADP
    heat shock 70kDa protein 8 isoform 1
    Adenosine Diphosphate (ADP)
    10.28 - 16.19
    110 - 17300
    4
  683. 3CAJ, EZL
    Carbonic anhydrase 2
    Ethoxzolamide (EZA)
    1.83 - 8.48
    0.50 - 8
    20
  684. 3CCN, LKG
    Tyrosine Kinase c-Met
    Triazolopyridazine, 3a
    7.92 - 9.16
    1.00 - 2100
    11
  685. 3CD8, L5G
    Tyrosine Kinase c-Met
    Triazolopyridazine, 4
    9.46 - 11.21
    1.00 - 67
    15
  686. 3CDE, N3H
    HCV NS5B Polymerase
    5-hydroxy- 3(2H)-pyridazinone, 2
    5.00 - 7.68
    10 - 8000
    15
  687. 3CE3, 1FN
    Tyrosine Kinase c-Met
    2-pyridone analogue, 2
    8.02 - 12.04
    1.00 - 1000
    13
  688. 3CH6, 311
    11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)
    pyridine amide, 30
    3.57 - 10.36
    0.10 - 17
    10
  689. 3CHC, ZRG
    Chitinase
    Monopeptide
    9.68 - 12.03
    12000 - 81000
    2
  690. 3CHD, WRG
    Chitinase
    Dipeptide
    5.61 - 9.19
    4300 - 81000
    4
  691. 3CJF, SAV
    VEGFR-2 (KDR)
    pyrimidine, 5a
    0.94 - 7.55
    0.60 - 36
    9
  692. 3CO9, 3MS
    HCV NS5B Polymerase
    pyrrolo[1,2-b]pyridazin-2-one analog., 3c
    5.31 - 9.37
    10 - 33000
    15
  693. 3CQU, CQU
    Protein kinase B (Akt 1)
    pyrrolopyrimidine, 5d
    0.39 - 8.03
    2 - 10000
    15
  694. 3CQW, CQW
    Protein kinase B (Akt 1)
    pyrrolopyrimidine, 8b
    5.28 - 6.54
    3 - 294
    8
  695. 3CSE, N22
    Dihydrofolate Reductase (DHFR)
    Propargyl-linked, 11
    6.37 - 11.00
    0.55 - 39
    13
  696. 3CUK, 4P5
    D-Amino Acid Oxidase (DAAO)
    5-carboxyfuro[3,2-b]pyrrole, 1
    1.31 - 7.45
    3 - 5000
    7
  697. 3CVK, N34
    HCV NS5B Polymerase
    hexahydro-pyrrolo[1,2-b]pyridazin-2-one, 4c
    6.16 - 10.13
    10 - 6500
    16
  698. 3CWJ, 321
    HCV NS5B Polymerase
    benzothiazine-containing analog, 3a
    1.09 - 7.98
    10 - 8000
    15
  699. 3CZR, 3CZ
    11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)
    arylsulfonylpiperazine, 45
    5.21 - 7.37
    3 - 1000
    16
  700. 3CZV, AZM
    Carbonic anhydrase XIII
    Acetazolamide, AZA
    2.31 - 3.94
    50 - 147
    3
  701. 3D14, AK1
    Aurora Kinase A (Aurora-A)
    thieno[3,2-d]pyrimidine analogue, 10
    5.77 - 10.53
    4 - 7200
    15
  702. 3D15, AK2
    Aurora Kinase A (Aurora-A)
    SN-314
    5.93 - 12.53
    9 - 7200
    15
  703. 3D28, B34
    HCV NS5B Polymerase
    1,1-dioxoisothiazole analog., 3
    4.66 - 6.83
    18 - 21000
    15
  704. 3D5M, 4MS
    HCV NS5B Polymerase
    1,1-dioxoisothiazole analog., 34
    4.82 - 7.79
    10 - 1600
    15
  705. 3D6O, U1S
    RNase A
    CHEMBL445773
    2.81 - 6.44
    6000 - 647000
    15
  706. 3D6P, U2S
    RNase A
    CHEMBL460902
    0.46 - 4.89
    6000 - 647000
    14
  707. 3D6Q, U3S
    RNase A
    CHEMBL444258
    2.08 - 6.20
    6000 - 647000
    14
  708. 3D7B, U4S
    RNase A
    CHEMBL513623
    1.06 - 5.01
    6000 - 647000
    14
  709. 3D8W, D8W
    Carbonic anhydrase 2
    Benzolamide (BZA)
    2.84 - 5.69
    0.50 - 9000
    12
  710. 3D8Y, T3S
    RNase A
    CHEMBL460910
    1.45 - 6.32
    6000 - 423000
    15
  711. 3D8Z, TXS
    RNase A
    CHEMBL511875
    2.23 - 6.84
    6000 - 423000
    15
  712. 3DD0, EZL
    Carbonic anhydrase 2
    Ethoxzolamide (EZA)
    4.04 - 8.59
    0.50 - 8
    20
  713. 3DGQ, EAA
    Glutathione S-transferase Pi
    CHEMBL456
    1.06 - 5.07
    624 - 40000
    12
  714. 3DJO, U2P
    Seminal ribonuclease
    CHEMBL447360
    4.45 - 4.50
    40800 - 1046400
    3
  715. 3DJQ, UDP
    Seminal ribonuclease
    CHEMBL130266
    1.55 - 5.64
    40800 - 1557900
    3
  716. 3DJV, C3P
    Seminal ribonuclease
    CHEMBL258728
    1.48 - 5.70
    27900 - 1557900
    4
  717. 3DNG, AXA
    Matrix Metalloproteinase-8 (MMP-8)
    hexahydrobenzothienopyrimidine, 2
    7.20 - 12.35
    7 - 3200
    3
  718. 3DPE, AXB
    Matrix Metalloproteinase-8 (MMP-8)
    thiopyranothienopyrimidine, 1
    10.95 - 14.72
    7 - 57
    2
  719. 3DPF, AXB
    Matrix Metalloproteinase-8 (MMP-8)
    thiopyranothienopyrimidine, 1
    11.16 - 12.69
    7 - 57
    2
  720. 3DQR, JI2
    Nitric Oxide Synthase, brain Mutant (D597N/M336V)
    aminopyridine-pyrrolidine, 5
    4.24 - 5.40
    1200 - 49200
    4
  721. 3DX0, MSN
    Golgi alpha-mannosidase II
    CHEMBL9623
    8.42 - 8.62
    36 - 76
    2
  722. 3DXH, UDP
    RNase A
    CHEMBL130266
    0.94 - 7.90
    27 - 844200
    13
  723. 3DY8, 5GP
    Phosphodiesterase Type 9 (PDE9A)
    CHEMBL564410
    1.68 - 4.93
    2000 - 150000
    3
  724. 3DYA, PZL
    HIV-1 Reverse Transcriptase RNase H
    annulated pyrazole compound, 6
    8.25 - 8.99
    3 - 24
    6
  725. 3DYQ, PCG
    Phosphodiesterase Type 9 (PDE9A)
    CHEMBL395336
    0.56 - 8.07
    2 - 150000
    6
  726. 3DYS, 5GP
    Phosphodiesterase Type 9 (PDE9A)
    CHEMBL564410
    1.54 - 3.03
    2000 - 150000
    2
  727. 3DZ2, A8M
    S-Adenosylmethionine Decarboxylase (AdoMetDC)
    AdoMet substrate analogue, 21c
    9.04 - 12.89
    5 - 500000
    13
  728. 3DZ4, C8M
    S-Adenosylmethionine Decarboxylase (AdoMetDC)
    AdoMet substrate analogue, 17d
    8.68 - 12.31
    5 - 420000
    13
  729. 3DZ5, M8M
    S-Adenosylmethionine Decarboxylase (AdoMetDC)
    AdoMet substrate analogue, 12a
    10.06 - 11.80
    5 - 420000
    13
  730. 3DZ7, O8M
    S-Adenosylmethionine Decarboxylase (AdoMetDC)
    AdoMet substrate analogue, 17f
    8.24 - 10.85
    5 - 420000
    12
  731. 3E01, PZ2
    HIV-1 Reverse Transcriptase RNase H
    pyrazolo[3,4-c]pyridazine, 10
    6.41 - 8.59
    3 - 24
    6
  732. 3E37, ED5
    Protein Farnesyltransferase (PFT)
    ethylenediamine scaffold, 5
    6.67 - 11.47
    56 - 4050
    5
  733. 3E3U, NVC
    Peptide deformylase
    CHEMBL506649
    8.28 - 11.74
    8 - 803
    11
  734. 3E5A, VX6
    Aurora kinase A
    VX-680
    6.23 - 10.07
    0.70 - 4100
    8
  735. 3E62, 5B1
    Tyrosine-protein kinase JAK2
    CHEMBL465091
    0.44 - 6.15
    1600 - 145300
    5
  736. 3E63, 5B2
    Tyrosine-protein kinase JAK2
    CHEMBL500779
    4.89 - 8.22
    78 - 9300
    14
  737. 3E64, 5B3
    Tyrosine-protein kinase JAK2
    CHEMBL480411
    5.88 - 10.04
    78 - 8580
    12
  738. 3E9S, TTT
    SARS coronavirus 3C-like proteinase
    Naphthalene and Benzamide Derivative, 25
    5.46 - 11.79
    460 - 46100
    13
  739. 3EB1, LZQ
    Protein-tyrosine phosphatase 1B (PTP1B)
    CHEMBL1234135
    2.30 - 3.08
    20000 - 20000
    2
  740. 3EEM, 53V
    Dihydrofolate Reductase (DHFR)
    Biphenyl antifolate, 6
    8.04 - 11.00
    0.55 - 39
    14
  741. 3EFK, MT4
    Tyrosine Kinase c-Met
    pyrimidone, 50
    11.35 - 15.50
    3 - 136
    15
  742. 3EFT, 3BS
    Carbonic anhydrase 2
    CHEMBL436648
    4.41 - 5.56
    3 - 351
    5
  743. 3EHW, DUP
    dUTP pyrophosphatase
    CHEMBL1232397
    0.83 - 22.73
    300 - 1000000
    11
  744. 3ELC, F01
    2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF)
    5-fluorocytidine
    6.10 - 9.74
    900000 - 20500000
    4
  745. 3EQM, ASD
    Aromatase (CYP19)
    CHEMBL274826
    0.04 - 7.77
    2 - 3000
    13
  746. 3ERK, SB4
    ERK-2
    SB220025
    6.14 - 10.04
    18000 - 100000
    3
  747. 3ERN, CAR
    2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF)
    AraCMP
    6.00 - 10.34
    900000 - 20500000
    4
  748. 3EXO, 5MS
    beta-Secretase (BACE-1)
    aminopyrimidine, 5
    4.67 - 8.13
    15000 - 1600000
    15
  749. 3EYL, SMK
    XIAP-BIR3
    Smac037
    7.34 - 11.88
    24 - 14400
    19
  750. 3EZR, EZR
    Cyclin-dependent kinase 2
    indazole-benzimidazole, 17
    10.62 - 13.22
    4 - 109000
    15
  751. 3F0B, 53R
    Dihydrofolate Reductase (DHFR)
    propargyl-based inhibitor, R-10a
    5.72 - 6.49
    61 - 61
    2
  752. 3F1Q, BCE
    Dihydroorotate Dehydrogenase (DHODH)
    cyanohydroxybutenamide, 10
    2.71 - 6.80
    3 - 1083
    13
  753. 3F2A, 985
    PIM1
    pyrazine inhibitor, 1
    8.79 - 10.27
    0.47 - 370
    6
  754. 3F66, IHX
    Hepatocyte growth factor receptor
    CHEMBL462712
    5.69 - 7.84
    170 - 60200
    15
  755. 3F7B, AG5
    Carbonic Anhydrase IV
    CHEMBL1094898
    5.57 - 9.81
    23 - 5000
    15
  756. 3F7H, 419
    ML-IAP-BIR
    Azabicyclooctane scaffold, 14a
    8.21 - 10.64
    38 - 10000
    13
  757. 3F7I, G13
    ML-IAP-BIR
    Azabicyclooctane scaffold, 14b
    8.69 - 11.70
    38 - 10000
    14
  758. 3F7U, AG4
    Carbonic Anhydrase IV
    CHEMBL1099124
    6.54 - 9.76
    23 - 5000
    15
  759. 3F82, 353
    Tyrosine Kinase c-Met
    BMS-777607
    7.07 - 14.54
    1.00 - 1000
    15
  760. 3FAT, AMQ
    Glutamate receptor ionotropic, AMPA 4
    AMPA
    11.16 - 13.10
    3 - 155
    3
  761. 3FCF, FCF
    Uracil-DNA glycosylase
    6-[[(3-Carboxy-benzylidene)-aminooxy]ethoxyimino]methyl]uracil, 14
    4.67 - 11.69
    1300 - 750000
    4
  762. 3FCI, 3FI
    Uracil-DNA glycosylase
    6-[3-[(3-Carboxy-benzylidene)aminooxypropylamino]-methyl]uracil, 6
    11.34 - 12.36
    1300 - 315000
    4
  763. 3FCK, FCK
    Uracil-DNA glycosylase
    cid_5307829
    4.73 - 7.27
    1300 - 750000
    5
  764. 3FCL, 3FL
    Uracil-DNA glycosylase
    cid_5307970
    7.11 - 10.39
    1300 - 700000
    3
  765. 3FHR, P4O
    MAPK-Activated Protein Kinase 3 (MK3)
    Pyrrolopyridine, 16
    6.64 - 9.18
    210 - 57700
    3
  766. 3FJ6, CIH
    Dihydroorotate Dehydrogenase (DHODH)
    cyanohydroxybutenamide, 24
    3.60 - 7.03
    3 - 2000
    14
  767. 3FJL, CJH
    Dihydroorotate Dehydrogenase (DHODH)
    cyanohydroxybutenamide, 29
    6.35 - 10.25
    3 - 190
    14
  768. 3FL8, RAR
    Dihydrofolate Reductase (DHFR)
    CHEMBL1235617
    9.55 - 10.99
    54 - 170
    3
  769. 3FL9, TOP
    Dihydrofolate Reductase (DHFR)
    Trimethoprim
    2.42 - 5.15
    942 - 109200
    10
  770. 3FPD, Q4A
    Histone-lysine N-methyltransferase, H3 lysine-9 specific 5
    CHEMBL569864
    6.78 - 11.55
    15 - 38000
    5
  771. 3FPM, 793
    MAPK-Activated Protein Kinase 2 (MK2)
    CHEMBL466496
    5.74 - 7.11
    380 - 100000
    15
  772. 3FR2, 8CA
    Fatty acid rwd/binding protein adipocyte
    CHEMBL452596
    5.46 - 8.01
    69 - 25000
    13
  773. 3FR5, I4A
    Fatty acid rwd/binding protein adipocyte
    CHEMBL516023
    3.64 - 6.09
    96 - 1660
    2
  774. 3FRF, XCF
    Dihydrofolate Reductase (DHFR)
    CHEMBL1236788
    5.45 - 6.23
    0.08 - 7
    3
  775. 3FW3, ETS
    Carbonic Anhydrase IV
    Dorzolamide (DZA)
    4.57 - 7.95
    32 - 8500
    8
  776. 3FXV, 643
    Farnesoid X-Activated Receptor
    3-aryl isoxazole analog, 7a
    6.87 - 10.88
    45 - 7330
    11
  777. 3FXW, F10
    MAPK-Activated Protein Kinase 3 (MK3)
    Pyrrolopyridine, 23
    6.45 - 9.42
    210 - 57700
    4
  778. 3FYV, XCF
    Dihydrofolate Reductase (DHFR)
    CHEMBL1236788
    4.80 - 6.25
    0.08 - 7
    3
  779. 3FZR, 3JZ
    Protein tyrosine kinase 2 beta
    CHEMBL472212
    4.62 - 7.31
    2 - 3000
    14
  780. 3FZS, B96
    Protein tyrosine kinase 2 beta
    cid_156422
    9.01 - 11.32
    400 - 990000
    3
  781. 3FZT, 4JZ
    Protein tyrosine kinase 2 beta
    CHEMBL1084269
    2.50 - 9.97
    400 - 990000
    3
  782. 3G0U, MDY
    Dihydroorotate Dehydrogenase (DHODH)
    cyanohydroxybutenamide, 19
    5.55 - 8.13
    11 - 10700
    14
  783. 3G0X, MD7
    Dihydroorotate Dehydrogenase (DHODH)
    cyanocyclopropylpropenamide, 11
    2.51 - 6.13
    3 - 1083
    12
  784. 3G2H, IMP
    Glycogen Phosphorylase (PYGM)
    Inosine
    0.74 - 2.23
    1020 - 6100000
    7
  785. 3G2H, KOT
    Glycogen Phosphorylase (PYGM)
    CHEMBL601227
    6.37 - 12.93
    14000 - 780000
    10
  786. 3G2I, RUG
    Glycogen Phosphorylase (PYGM)
    CHEMBL602068
    4.74 - 10.42
    14000 - 780000
    10
  787. 3G2J, 9GP
    Glycogen Phosphorylase (PYGM)
    CHEMBL602684
    8.68 - 11.44
    10000 - 4500000
    10
  788. 3G2K, SKY
    Glycogen Phosphorylase (PYGM)
    CHEMBL600003
    5.94 - 13.00
    14000 - 780000
    10
  789. 3G2L, LEW
    Glycogen Phosphorylase (PYGM)
    CHEMBL600202
    5.19 - 10.46
    14000 - 780000
    9
  790. 3G2N, OAK
    Glycogen Phosphorylase (PYGM)
    CHEMBL131967
    4.97 - 12.94
    4600 - 4500000
    12
  791. 3G3E, G3E
    D-Amino Acid Oxidase (DAAO)
    3-hydroxyquinolin-2(1H)-one, 2
    1.72 - 6.53
    3 - 26200
    16
  792. 3G5M, XM5
    Quinone reductase 2
    casimiroin
    3.06 - 5.07
    1900 - 500000
    13
  793. 3G6Z, A7T
    Renin
    CHEMBL1230745
    2.26 - 12.39
    0.16 - 1100
    15
  794. 3G70, A5T
    Renin
    CHEMBL509903
    7.26 - 13.60
    0.28 - 699
    15
  795. 3G72, A6T
    Renin
    CHEMBL500811
    10.95 - 14.79
    0.28 - 699
    13
  796. 3GAM, MXX
    Quinone reductase 2
    casimiroin analogue, 1l
    3.32 - 5.32
    1900 - 500000
    15
  797. 3GDL, UP6
    Orotidine phosphate decarboxylase
    C6-Uridine Derivative, 18
    7.77 - 13.11
    0.01 - 400
    3
  798. 3GN1, AX7
    Pteridine Reductase 1 (PTR1)
    Imidazole C-2 deriv. 3
    0.38 - 3.34
    10600 - 288000
    3
  799. 3GN2, AX8
    Pteridine Reductase 1 (PTR1)
    2-aminobenzimidazole deriv., 9
    2.66 - 5.27
    7 - 200000
    6
  800. 3GSS, EAA
    Glutathione S-transferase Pi
    CHEMBL456
    0.11 - 4.33
    624 - 40000
    12
  801. 3GW5, 72X
    Renin
    piperidine-1-carboxamide, 21l
    12.39 - 15.30
    0.10 - 315
    14
  802. 3GXT, NOJ
    Alpha-galactosidase A
    Deoxynojirimycin, DNJ
    3.64 - 8.51
    6400 - 1000000
    9
  803. 3H0W, N8M
    S-Adenosylmethionine Decarboxylase (AdoMetDC)
    AdoMet substrate analogue, 23a
    7.95 - 11.78
    5 - 420000
    12
  804. 3H3C, P1E
    Protein tyrosine kinase 2 beta
    CHEMBL509485
    7.08 - 8.99
    10 - 320
    15
  805. 3H9O, 9BD
    3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1)
    Benzo[c][2,7]naphthyridine, 9
    8.85 - 12.39
    35 - 7490
    13
  806. 3HCC, LT3
    Phenylethanolamine N-Methyltransferase (PNMT)
    CHEMBL35982
    3.69 - 6.47
    10000 - 730000
    2
  807. 3HKN, MFS
    Carbonic anhydrase 2
    CHEMBL573459
    2.30 - 5.65
    15 - 4100
    8
  808. 3HKQ, 1SD
    Carbonic anhydrase 2
    CHEMBL569412
    4.17 - 9.12
    3900 - 4980
    10
  809. 3HKU, TOR
    Carbonic anhydrase 2
    CHEMBL1079207
    5.05 - 7.99
    10 - 13000
    5
  810. 3HL5, 9JZ
    XIAP-BIR3
    CS-3
    7.94 - 9.54
    2400 - 34000
    3
  811. 3HQU, UN9
    Egl nine homolog 1
    CHEMBL426560
    4.63 - 7.52
    80 - 100000
    5
  812. 3HS4, AZM
    Carbonic anhydrase 2
    Acetazolamide, AZA
    4.16 - 6.60
    2 - 3700
    11
  813. 3HSC, ADP
    heat shock 70kDa protein 8 isoform 1
    Adenosine Diphosphate (ADP)
    9.77 - 15.00
    110 - 17300
    4
  814. 3HVO, VGI
    HCV NS5B Polymerase
    1H-benzo[de]isoquinoline-1,3(2H)-dione, 1
    4.78 - 6.77
    43 - 50000
    15
  815. 3HYF, ON1
    HIV-1 Reverse Transcriptase RNase H
    pyrimidinol carboxylic acid, 9
    3.88 - 4.94
    1150 - 72000
    5
  816. 3I06, QL2
    Cruzipain
    CHEMBL567341
    1.70 - 3.42
    0.20 - 316
    10
  817. 3I1Y, 33N
    Epoxide hydratase
    CHEMBL560537
    10.14 - 12.85
    5 - 3000
    14
  818. 3I28, 34N
    Epoxide hydratase
    CHEMBL556717
    6.25 - 12.68
    4 - 565
    10
  819. 3I4A, LN5
    N(G),N(G)-dimethylarginine dimethylaminohydrolase 1
    CHEMBL507472
    8.88 - 13.78
    13000 - 5000000
    10
  820. 3I5N, B2D
    Hepatocyte growth factor receptor
    CHEMBL566875
    9.93 - 11.61
    3 - 6667
    15
  821. 3IBI, BOW
    Carbonic anhydrase 2
    aliphatic sulfamate, 1
    5.50 - 8.05
    0.70 - 9000
    8
  822. 3IBL, O59
    Carbonic anhydrase 2
    bis-sulfamate, 3
    3.67 - 6.70
    0.70 - 9000
    8
  823. 3IBN, O60
    Carbonic anhydrase 2
    bis-sulfamate, 4
    2.51 - 6.74
    0.70 - 9000
    8
  824. 3IBU, O48
    Carbonic anhydrase 2
    aliphatic sulfamate, 2
    5.11 - 8.61
    0.70 - 9000
    8
  825. 3IEJ, 599
    Cathepsin S
    arylalkyne pyrazole-based compound, 32
    3.40 - 5.65
    40 - 1100
    15
  826. 3IK1, UMP
    Thymidylate synthase
    CHEMBL211312
    4.34 - 8.89
    310 - 8750
    13
  827. 3IKD, J9Z
    PPIase Pin1
    benzothiophene carboxamide, 18b
    7.62 - 8.71
    6 - 525
    9
  828. 3IKG, J8Z
    PPIase Pin1
    3-methylphenylalanine derivative, 22b
    5.80 - 7.75
    6 - 525
    8
  829. 3IL5, B82
    beta-Ketoacyl-ACP Synthase III (FabH)
    Diethylsulfonamide Derivative, 13a
    5.49 - 7.83
    62 - 160000
    10
  830. 3IMY, B72
    Thyroid Hormone Receptor (TR-beta)
    CHEMBL107400
    9.28 - 12.74
    0.07 - 3600
    6
  831. 3IPS, O90
    Liver X Receptor alpha (LXR-alpha)
    CHEMBL23296
    7.98 - 11.90
    12 - 6400
    13
  832. 3IPX, ADP
    Deoxycytidine kinase
    Adenosine Diphosphate (ADP)
    3.60 - 3.75
    4000 - 1000000
    2
  833. 3IPX, B86
    Deoxycytidine kinase
    CHEMBL1076257
    9.54 - 11.37
    4000 - 1000000
    2
  834. 3ISD, F2A
    DNA polymerase beta
    CHEMBL1162297
    8.76 - 10.70
    600 - 200000
    5
  835. 3JSI, WTC
    Phosphodiesterase Type 9 (PDE9A)
    CHEMBL572934
    7.58 - 9.30
    0.80 - 200
    15
  836. 3JSW, JAR
    Phosphodiesterase Type 9 (PDE9A)
    CHEMBL572517
    7.36 - 9.98
    0.80 - 200
    15
  837. 3JSX, CC2
    Quinone Reductase 1
    4-hydroxy-2H-chromen-2-one core, 16
    3.35 - 6.72
    0.41 - 5500
    14
  838. 3JXW, LXG
    PIM1
    benzothienopyrimidinone deriv., 12b
    6.31 - 7.81
    0.80 - 65
    13
  839. 3JY0, LYG
    PIM1
    benzothienopyrimidinone deriv., 6e
    4.61 - 6.72
    3 - 332
    14
  840. 3JY9, JZH
    Tyrosine-protein kinase JAK2
    CHEMBL584052
    2.24 - 8.83
    0.50 - 5600
    12
  841. 3JYA, LWG
    PIM1
    benzothienopyrimidinone deriv., 3b
    3.89 - 7.52
    0.90 - 358
    16
  842. 3JZC, 4HY
    Thyroid Hormone Receptor (TR-beta)
    Triiodothyroacetic acid, 3
    7.62 - 10.39
    0.02 - 2140
    7
  843. 3K47, D09
    Dihydrofolate Reductase (DHFR)
    2,4-diaminofuro[2,3-d]pyrimidine, 1a
    6.62 - 7.36
    3200 - 187000
    7
  844. 3K5V, STI
    ABL
    Imatinib, 21
    9.61 - 16.57
    9 - 11
    2
  845. 3KC3, MK2
    MAPK-Activated Protein Kinase 2 (MK2)
    CHEMBL590110
    8.06 - 8.63
    720 - 5400
    4
  846. 3KDT, 7HA
    Peroxisome Proliferator-Activated Receptor alpha
    BMS-687453
    1.14 - 12.22
    97 - 697
    3
  847. 3KEN, ZZD
    Kinesin Spindle Protein Eg5
    S-Trityl-L-Cysteine (STLC), 1
    7.10 - 11.19
    14 - 63000
    16
  848. 3KFC, 61X
    Liver X Receptor beta (LXR-beta)
    CHEMBL593241
    9.45 - 12.74
    2 - 118
    15
  849. 3KM4, 22X
    Renin
    CHEMBL589399
    12.70 - 16.13
    0.18 - 2260
    15
  850. 3KOO, 24D
    Epoxide hydratase
    CHEMBL589136
    6.60 - 9.98
    4 - 63
    9
  851. 3KRR, DQX
    Tyrosine-protein kinase JAK2
    CHEMBL1092926
    5.80 - 12.54
    3 - 685
    15
  852. 3KWA, SPM
    Carbonic anhydrase 2
    Spermine
    4.87 - 6.75
    1110 - 84000
    3
  853. 3KWZ, KWZ
    Cathepsin K
    CHEMBL1084400
    0.29 - 1.85
    3 - 389
    10
  854. 3KX1, KX1
    Cathepsin K
    CHEMBL1084403
    0.15 - 3.21
    4 - 100
    6
  855. 3LC3, IYX
    Factor IXa (fIXa)
    CHEMBL598384
    6.01 - 8.53
    250 - 26900
    15
  856. 3LOK, DJK
    Src Mutant (S345C/T338M)
    4-anilinoquinazoline deriv. 2
    3.12 - 3.29
    2810 - 50000
    3
  857. 3M08, RAR
    Dihydrofolate Reductase (DHFR)
    CHEMBL1235617
    7.86 - 10.18
    3 - 13
    3
  858. 3M3X, JS7
    Carbonic anhydrase 2
    CHEMBL1233768
    3.37 - 6.34
    16 - 420
    10
  859. 3M40, J45
    Carbonic anhydrase 2
    CHEMBL1233722
    4.74 - 5.92
    23 - 83368118
    6
  860. 3M5E, JDR
    Carbonic anhydrase 2
    CHEMBL1233735
    5.25 - 7.41
    16 - 100000
    11
  861. 3M67, E36
    Carbonic anhydrase 2
    CHEMBL1232443
    7.04 - 9.87
    20 - 1800
    15
  862. 3M96, E38
    Carbonic anhydrase 2
    CHEMBL1271638
    6.36 - 8.07
    20 - 1800
    15
  863. 3M98, E02
    Carbonic anhydrase 2
    CHEMBL1272187
    2.52 - 7.65
    60 - 4200
    12
  864. 3MDZ, EZL
    Carbonic anhydrase 7 (CA VII)
    Ethoxzolamide (EZA)
    4.90 - 5.46
    0.71 - 4
    2
  865. 3MHC, ARZ
    Carbonic anhydrase 2
    Investigational agent, 4
    4.42 - 6.46
    0.50 - 11
    7
  866. 3MHI, J90
    Carbonic anhydrase 2
    CHEMBL1233732
    3.36 - 7.75
    16 - 200
    7
  867. 3MHL, J71
    Carbonic anhydrase 2
    CHEMBL1233725
    4.87 - 7.20
    16 - 200
    8
  868. 3MHM, J75
    Carbonic anhydrase 2
    CHEMBL1233727
    3.66 - 7.24
    14 - 200
    10
  869. 3MHO, J43
    Carbonic anhydrase 2
    CHEMBL1233721
    1.50 - 6.10
    23 - 83368118
    11
  870. 3ML2, SU0
    Carbonic anhydrase 2
    CHEMBL477822
    1.48 - 5.31
    9 - 125
    7
  871. 3MMF, D9H
    Carbonic anhydrase 2
    CHEMBL1738787
    4.19 - 5.92
    37 - 561
    10
  872. 3MNA, DWH
    Carbonic anhydrase 2
    CHEMBL1738792
    3.81 - 6.18
    23 - 561
    10
  873. 3MNU, SO4
    Carbonic anhydrase 2
    sulfate ion
    0.92 - 2.29
    89000000 - 89000000
    2
  874. 3MS9, STI
    ABL
    Imatinib, 21
    11.01 - 16.94
    9 - 11
    2
  875. 3MSS, STI
    ABL
    Imatinib, 21
    11.74 - 16.96
    9 - 11
    2
  876. 3MYQ, E27
    Carbonic anhydrase 2
    CHEMBL1271639
    5.31 - 7.58
    20 - 1800
    15
  877. 3MZC, S6I
    Carbonic anhydrase 2
    CHEMBL1615215
    2.63 - 6.83
    2 - 9600
    15
  878. 3N0N, P9B
    Carbonic anhydrase 2
    CHEMBL316779
    3.17 - 5.67
    8 - 5005
    14
  879. 3N0T, OPY
    Dipeptidyl peptidase II
    CHEMBL93505
    7.19 - 10.05
    19 - 88700
    7
  880. 3N2P, AYX
    Carbonic anhydrase 2
    CHEMBL1614844
    4.57 - 7.32
    3 - 5005
    13
  881. 3N3J, WWV
    Carbonic anhydrase 2
    CHEMBL1615280
    3.15 - 5.40
    2 - 9600
    12
  882. 3N3M, NUP
    Orotidine Monophosphate Decarboxylase (ODCase)
    C6-Uridine Derivative, 15
    9.36 - 14.90
    1000 - 10000000
    9
  883. 3N4B, WWZ
    Carbonic anhydrase 2
    CHEMBL1615281
    3.26 - 6.55
    8 - 9600
    12
  884. 3N7R, 3N6
    Calcitonin gene-related peptide type 1 receptor
    OLCEGEPANT
    1.70 - 12.22
    0.01 - 11100
    5
  885. 3N7S, 3N6
    Calcitonin gene-related peptide type 1 receptor
    OLCEGEPANT
    9.49 - 14.33
    0.01 - 6626
    4
  886. 3N9J, EAA
    Glutathione S-transferase Pi
    CHEMBL456
    1.73 - 4.50
    704 - 40000
    11
  887. 3NB5, R21
    Carbonic anhydrase 2
    CHEMBL606453
    2.14 - 6.21
    18 - 11500
    13
  888. 3NFR, EWQ
    Quinone reductase 2
    casimiroin analogue, 1j
    1.71 - 5.76
    1900 - 500000
    15
  889. 3NHF, VVV
    Quinone reductase 2
    casimiroin analogue, 1o
    3.04 - 5.38
    1900 - 500000
    15
  890. 3NHJ, A2Z
    Quinone reductase 2
    casimiroin analogue, 1b
    3.25 - 4.85
    1900 - 500000
    15
  891. 3NHK, VAP
    Quinone reductase 2
    casimiroin analogue, 1n
    0.89 - 3.57
    1900 - 500000
    15
  892. 3NHL, YTR
    Quinone reductase 2
    casimiroin analogue, 1h
    0.80 - 3.40
    1900 - 500000
    14
  893. 3NHP, HGZ
    Quinone reductase 2
    casimiroin analogue, 1m
    1.81 - 3.74
    1900 - 500000
    15
  894. 3NHR, RZW
    Quinone reductase 2
    casimiroin analogue, 1p
    0.96 - 4.89
    1900 - 500000
    15
  895. 3NHW, ZXZ
    Quinone reductase 2
    casimiroin analogue, 1d
    2.54 - 5.30
    1900 - 500000
    16
  896. 3NHY, A7B
    Quinone reductase 2
    casimiroin analogue, 1e
    3.97 - 5.68
    1900 - 500000
    15
  897. 3NI5, C1H
    Carbonic anhydrase 2
    CHEMBL1738778
    6.31 - 7.52
    2 - 33
    5
  898. 3NTY, 5P3
    20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1)
    CHEMBL1275703
    1.23 - 10.12
    0.86 - 460
    11
  899. 3NVY, QUE
    Xanthine dehydrogenase
    Quercetin
    1.41 - 7.84
    30 - 176100
    12
  900. 3O96, IQO
    Protein kinase B (Akt)
    imidazoquinoxaline 16h
    9.58 - 12.36
    20 - 1089
    11
  901. 3O9L, LPN
    Renin
    CHEMBL1269671
    8.14 - 13.94
    0.09 - 91
    14
  902. 3OAD, LPO
    Renin
    CHEMBL1234078
    2.88 - 17.13
    0.05 - 91
    14
  903. 3OCS, 746
    BTK
    CGI1746, 2
    5.61 - 10.33
    2 - 9058
    12
  904. 3OOT, SSR
    Renin
    CHEMBL1236060
    11.06 - 14.75
    2 - 9350
    12
  905. 3OQF, S51
    Renin
    CHEMBL1235802
    10.72 - 13.63
    2 - 3400
    14
  906. 3OQK, S52
    Renin
    CHEMBL1235803
    11.45 - 15.23
    5 - 9000
    15
  907. 3OTQ, MZL
    Epoxide hydratase
    CHEMBL1234565
    5.02 - 9.69
    1.00 - 650
    10
  908. 3OUJ, AKG
    Egl nine homolog 1
    CHEMBL1686
    7.62 - 8.57
    900 - 100000
    2
  909. 3OYS, OYS
    Carbonic anhydrase 2
    sulfonamide deriv., 7a
    3.39 - 6.34
    9 - 3500
    17
  910. 3OYW, TDG
    Galectin-1
    THIODIGALACTOSIDE
    4.26 - 4.87
    24000 - 5000000
    2
  911. 3P8H, P8H
    Lethal(3)malignant brain tumor-like protein 1
    CHEMBL1235119
    4.10 - 6.94
    5000 - 46000
    2
  912. 3PA3, C70
    Checkpoint kinase-1 (CHK1)
    CHEMBL1231624
    5.98 - 7.71
    1.00 - 27143
    15
  913. 3PA4, C72
    Checkpoint kinase-1 (CHK1)
    CHEMBL1231626
    5.76 - 7.80
    1.00 - 27143
    16
  914. 3PA5, C73
    Checkpoint kinase-1 (CHK1)
    CHEMBL470288
    5.05 - 6.85
    2 - 746
    14
  915. 3PBB, PBD
    Glutaminyl cyclase
    1-alkylimidazole thiourea deriv. 53
    3.19 - 6.14
    6 - 5660
    15
  916. 3PJC, PJC
    Tyrosine Kinase JAK3
    CHEMBL1235315
    7.30 - 10.53
    8 - 10000
    8
  917. 3PTA, SAH
    DNA (cytosine-5)-methyltransferase 1
    CHEMBL418052
    9.43 - 11.75
    800 - 300000
    13
  918. 3PX8, JP2
    Ricin
    CHEMBL1738820
    5.94 - 10.50
    200000 - 1600000
    9
  919. 3PX9, JP3
    Ricin
    CHEMBL1738821
    6.27 - 10.54
    200000 - 1600000
    9
  920. 3PY0, SU9
    Cyclin-dependent kinase 2
    cid_5289419
    5.54 - 8.35
    3 - 5355
    14
  921. 3PY1, SU9
    Cyclin-dependent kinase 2
    cid_5289419
    5.03 - 9.54
    3 - 5355
    14
  922. 3PYY, STI
    ABL1(Y253F)
    Imatinib, 21
    13.10 - 17.29
    1.00 - 11000
    3
  923. 3PZH, EMO
    Casein Kinase II
    Emodin
    4.18 - 5.51
    350 - 40000
    4
  924. 3Q0V, LL4
    HTH-type transcriptional regulator EthR
    CHEMBL1773953
    6.02 - 8.44
    500 - 5600
    8
  925. 3Q32, J2I
    Tyrosine-protein kinase JAK2
    CHEMBL1615027
    6.15 - 11.02
    0.60 - 22
    15
  926. 3Q3T, RX0
    Renin
    CHEMBL1818050
    10.07 - 15.33
    1.00 - 4700
    13
  927. 3Q4B, RX5
    Renin
    CHEMBL1276678
    10.70 - 15.21
    0.30 - 764
    14
  928. 3Q5H, RX6
    Renin
    CHEMBL2024248
    10.92 - 17.46
    0.15 - 764
    15
  929. 3QCE, NXY
    Receptor-type tyrosine-protein phosphatase gamma
    CHEMBL1403981
    5.19 - 9.21
    2500 - 120000
    14
  930. 3QCF, NXY
    Receptor-type tyrosine-protein phosphatase gamma
    CHEMBL1403981
    4.99 - 8.09
    2500 - 120000
    14
  931. 3QCH, NX2
    Receptor-type tyrosine-protein phosphatase gamma
    CHEMBL1910886
    6.19 - 10.53
    500 - 120000
    12
  932. 3QCI, NX3
    Receptor-type tyrosine-protein phosphatase gamma
    CHEMBL1910888
    6.33 - 9.55
    500 - 120000
    8
  933. 3QCJ, NX4
    Receptor-type tyrosine-protein phosphatase gamma
    CHEMBL1910889
    7.82 - 11.82
    500 - 78000
    6
  934. 3QCK, NX5
    Receptor-type tyrosine-protein phosphatase gamma
    CHEMBL1910963
    6.44 - 12.03
    1300 - 100000
    10
  935. 3QIN, P1Y
    HIV-1 Reverse Transcriptase RNase H
    pyrimidinol carboxylic acid, 10
    3.74 - 4.70
    175 - 72000
    7
  936. 3QLY, 55V
    Dihydrofolate Reductase (DHFR)
    CHEMBL1230365
    6.69 - 9.13
    0.55 - 39
    14
  937. 3QS1, 006
    Plasmepsin I
    CHEMBL231522
    4.16 - 12.60
    24 - 2000
    10
  938. 3R00, UNJ
    PIM1
    CHEMBL1738916
    1.86 - 5.98
    20 - 119000
    7
  939. 3R01, UNE
    PIM1
    CHEMBL1738915
    3.58 - 9.46
    1.00 - 119000
    14
  940. 3R02, UNM
    PIM1
    CHEMBL1782530
    3.44 - 8.38
    1.00 - 9000
    14
  941. 3R04, UNQ
    PIM1
    CHEMBL1782513
    5.75 - 8.37
    13 - 7800
    13
  942. 3R16, 5UN
    Carbonic anhydrase 2
    sulfonamide deriv., 5a
    3.35 - 5.46
    9 - 2500
    15
  943. 3R17, 5UM
    Carbonic anhydrase 2
    sulfonamide deriv., 5b
    4.00 - 6.01
    10 - 100000000
    11
  944. 3R2Y, P4O
    MAPK-Activated Protein Kinase 2 (MK2)
    Pyrrolopyridine, 16
    1.10 - 5.75
    30 - 8900
    12
  945. 3RGF, BAX
    Cyclin-Dependent Kinase 8 (CDK8)
    Hit compound, 8
    7.19 - 7.55
    1.00 - 310000
    2
  946. 3RJF, F2A
    DNA polymerase beta
    CHEMBL1162297
    8.66 - 12.76
    600 - 200000
    4
  947. 3S5Y, DGJ
    Alpha-galactosidase A
    CHEMBL110458
    3.36 - 7.48
    6400 - 1000000
    9
  948. 3S68, TCW
    Catechol O-methyltransferase
    TOLCAPONE
    2.80 - 6.33
    2 - 927000
    15
  949. 3S73, EVF
    Carbonic anhydrase 2
    CHEMBL168552
    3.58 - 5.99
    1.00 - 250
    10
  950. 3S9T, E49
    Carbonic anhydrase 2
    CHEMBL2010997
    4.85 - 8.23
    30 - 430
    14
  951. 3SAP, E2I
    Carbonic anhydrase 2
    CHEMBL2011154
    4.39 - 6.81
    9 - 430
    13
  952. 3SAX, E50
    Carbonic anhydrase 2
    CHEMBL2010999
    5.41 - 8.95
    13 - 430
    15
  953. 3SBH, E65
    Carbonic anhydrase 2
    CHEMBL2010998
    2.99 - 6.18
    9 - 430
    14
  954. 3SBI, E90
    Carbonic anhydrase 2
    CHEMBL2011156
    4.64 - 6.48
    9 - 430
    14
  955. 3SFC, S53
    Renin
    CHEMBL1825187
    13.81 - 15.78
    2 - 1350
    13
  956. 3SFF, 0DI
    Histone Deacetylase 8 (HDAC8)
    CHEMBL1812334
    1.43 - 8.00
    90 - 2340
    2
  957. 3SFH, 1DI
    Histone Deacetylase 8 (HDAC8)
    CHEMBL1812335
    5.29 - 7.30
    90 - 200
    2
  958. 3SR5, Q12
    Dihydrofolate Reductase (DHFR)
    CHEMBL1818114
    5.14 - 6.91
    0.03 - 3
    15
  959. 3SRQ, Q19
    Dihydrofolate Reductase (DHFR)
    CHEMBL1818120
    4.33 - 7.63
    0.03 - 9
    14
  960. 3SRR, Q20
    Dihydrofolate Reductase (DHFR)
    CHEMBL1818121
    5.69 - 9.31
    0.02 - 3
    15
  961. 3SRU, Q26
    Dihydrofolate Reductase (DHFR)
    CHEMBL1818127
    1.41 - 9.42
    0.02 - 5
    15
  962. 3SRW, Q27
    Dihydrofolate Reductase (DHFR)
    CHEMBL1818128
    5.30 - 8.12
    0.03 - 3
    12
  963. 3STR, 3LI
    Polypeptide deformylase (PDF)
    PDF inhibitor, compound 2
    9.91 - 16.44
    54 - 650
    5
  964. 3SVH, KRG
    CBP
    CHEMBL1828984
    1.80 - 4.51
    12900 - 200000
    7
  965. 3SVJ, 4LI
    Polypeptide deformylase (PDF)
    PDF inhibitor, compound 3
    8.71 - 10.60
    54 - 650
    5
  966. 3SW4, 18K
    Cyclin-dependent kinase 2
    2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40
    5.79 - 7.06
    30 - 10000
    6
  967. 3T5U, A09
    Carbonic anhydrase 2
    Hydroxysulfonamide 53
    3.81 - 5.38
    13 - 5870
    11
  968. 3T60, DUA
    Putative deoxyuridine 5''-triphosphate nucleotidohydrolase
    CHEMBL377582
    2.07 - 7.55
    200 - 1000000
    12
  969. 3TE7, TE7
    Quinone reductase 2
    CHEMBL125750
    2.95 - 5.86
    6 - 3200
    14
  970. 3TKH, 07S
    Checkpoint kinase-1 (CHK1)
    CHEMBL2011328
    6.07 - 9.39
    5 - 520
    15
  971. 3TKI, S25
    Checkpoint kinase-1 (CHK1)
    CHEMBL2010809
    8.53 - 11.99
    0.03 - 15
    15
  972. 3TN8, F18
    Cyclin-Dependent Kinase 9 (CDK9)
    CAN508
    7.22 - 9.95
    350 - 26000
    6
  973. 3TNH, F18
    Cyclin-Dependent Kinase 9 (CDK9)
    CAN508
    5.60 - 7.31
    350 - 26000
    6
  974. 3TNW, F18
    Cyclin-dependent kinase 2
    CAN508
    5.49 - 7.69
    20000 - 100000
    6
  975. 3TPP, 5HA
    beta-Secretase (BACE-1)
    L-000384950
    12.14 - 20.22
    10 - 4630
    15
  976. 3TT4, E1S
    Matrix Metalloproteinase-8 (MMP-8)
    Inhibitor, 17
    4.99 - 10.38
    5 - 671
    5
  977. 3TVX, PNX
    Phosphodiesterase Type 4 (PDE4A)
    1-(5-Oxohexyl)theobromine (pentoxifylline)
    2.14 - 6.54
    168000 - 747000
    3
  978. 3U2O, 03U
    Dihydroorotate Dehydrogenase (DHODH)
    CHEMBL1929435
    7.06 - 10.41
    26 - 198
    15
  979. 3U6H, 03X
    Hepatocyte growth factor receptor
    CHEMBL2031893
    11.25 - 13.44
    1.00 - 20000
    14
  980. 3U6I, 044
    Hepatocyte growth factor receptor
    Substituted Pyrazolone, 4
    9.61 - 16.16
    0.90 - 205
    14
  981. 3U8J, 09O
    Acetylcholine-rwd/binding protein (Ls-AchBP)
    NS3531, 1
    5.79 - 6.32
    3 - 9
    2
  982. 3U9N, 09H
    Checkpoint kinase-1 (CHK1)
    CHEMBL2037017
    7.03 - 9.75
    5 - 50000
    15
  983. 3UBD, SL0
    RPS6KA3(Kin.Dom.1 - N-terminal)
    CHEMBL240954
    9.20 - 11.66
    89 - 1920
    8
  984. 3V2J, AZM
    Carbonic anhydrase 2
    Acetazolamide, AZA
    5.47 - 9.80
    2 - 3700
    11
  985. 3V2M, AZM
    Carbonic anhydrase 2
    Acetazolamide, AZA
    3.91 - 6.21
    2 - 3700
    11
  986. 3V5J, 0F2
    Tyrosine-protein kinase ITK
    CHEMBL2017554
    4.24 - 10.33
    0.30 - 1000
    9
  987. 3V5L, 0G1
    Tyrosine-protein kinase ITK
    CHEMBL2017555
    3.08 - 10.37
    0.30 - 100000
    9
  988. 3VBV, 0FK
    PIM1
    CHEMBL2032371
    0.10 - 5.57
    200 - 10000
    12
  989. 3VC4, 0FS
    PIM1
    thiazolidine-2,4-dione, 4a
    1.83 - 4.33
    13 - 45000
    15
  990. 3VW6, IM6
    MAP3K5
    CHEMBL1642655
    7.02 - 8.51
    14 - 19
    3
  991. 3ZS0, ZS0
    Myeloperoxidase
    2-Thioxanthine, TX2
    0.22 - 1.20
    200 - 1000
    4
  992. 4A22, TD4
    Probable fructose-bisphosphate aldolase Fba
    CHEMBL1236228
    10.06 - 16.54
    3 - 170
    3
  993. 4ABU, FT1
    Transthyretin
    CHEMBL240804
    1.47 - 3.03
    0.20 - 144000
    12
  994. 4ABV, FT2
    Transthyretin
    CHEMBL240805
    0.43 - 2.46
    0.20 - 144000
    7
  995. 4ABW, 42M
    Transthyretin
    CHEMBL241573
    1.32 - 1.96
    27 - 55000
    5
  996. 4AC2, 43F
    Transthyretin
    CHEMBL240807
    1.13 - 3.20
    0.30 - 144000
    7
  997. 4AC4, HKA
    Transthyretin
    CHEMBL392872
    1.59 - 4.23
    0.20 - 45000
    10
  998. 4AFE, GGY
    Serine/threonine-protein kinase NEK2
    CHEMBL2042135
    7.96 - 12.62
    22 - 10500
    15
  999. 4AN0, 2P6
    Prolyl endopeptidase
    CHEMBL189620
    5.27 - 11.23
    0.20 - 130
    14
  1000. 4AQC, 88A
    Tyrosine-protein kinase JAK2
    US8501936, 26
    9.26 - 12.34
    0.64 - 1615
    15
  1001. 4DBU, BT9
    17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
    CHEMBL1682202
    2.67 - 6.49
    36 - 2800
    11
  1002. 4DEG, 0JJ
    Hepatocyte growth factor receptor
    CHEMBL566685
    7.32 - 12.56
    1.00 - 6667
    12
  1003. 4DEI, 0JL
    Hepatocyte growth factor receptor
    CHEMBL2029678
    8.44 - 12.06
    1.00 - 110
    15
  1004. 4DMX, 0LB
    Cathepsin K
    CHEMBL2070936
    1.66 - 8.30
    0.60 - 100000
    14
  1005. 4DUM, HLI
    Eukaryotic translation initation factor
    CHEMBL2046916
    11.93 - 13.47
    16 - 300000
    6
  1006. 4E3G, PHB
    Carbonic anhydrase 2
    p-Hydroxybenzoic acid
    3.20 - 4.88
    470 - 10570000
    13
  1007. 4E3G, SO4
    Carbonic anhydrase 2
    sulfate ion
    1.55 - 2.25
    89000000 - 89000000
    2
  1008. 4E49, RCO
    Carbonic anhydrase 2
    phenol derivative, 3
    0.03 - 4.36
    90 - 752000
    10
  1009. 4E49, SO4
    Carbonic anhydrase 2
    sulfate ion
    0.82 - 2.24
    200 - 300000000
    4
  1010. 4E4A, SO4
    Carbonic anhydrase 2
    sulfate ion
    2.74 - 4.13
    89000000 - 89000000
    2
  1011. 4E5D, 0NJ
    Luciferin 4-monooxygenase
    CHEMBL508666
    3.08 - 7.06
    600 - 24200
    15
  1012. 4EC0, 7PQ
    PTGDR
    CHEMBL2035656
    5.24 - 9.66
    2 - 1480
    6
  1013. 4EDY, 9PQ
    PTGDR
    CHEMBL2035655
    4.74 - 8.90
    2 - 1480
    6
  1014. 4EDZ, 0O5
    PTGDR
    CHEMBL2035653
    5.03 - 8.70
    2 - 1480
    6
  1015. 4EE0, 0O4
    PTGDR
    CHEMBL2035651
    4.82 - 8.79
    2 - 1480
    6
  1016. 4EOR, 4SP
    Cyclin A2
    NU6102
    8.42 - 10.83
    5 - 6800
    13
  1017. 4ERW, STU
    Cyclin-dependent kinase 2
    Staurosporine
    7.30 - 9.39
    3 - 680
    9
  1018. 4EZ7, STU
    Cyclin-dependent kinase 2
    Staurosporine
    7.43 - 10.62
    3 - 680
    10
  1019. 4F6X, ZYL
    Dehydrosqualene synthase
    CHEMBL2063256
    6.54 - 10.48
    33000 - 300000
    2
  1020. 4FGZ, CQA
    Phosphoethanolamine N-methyltransferase
    CHEMBL682
    4.52 - 5.22
    554000 - 1350000
    2
  1021. 4FSM, HK1
    Checkpoint kinase-1 (CHK1)
    Chk1_4
    2.60 - 8.85
    1.00 - 10000
    12
  1022. 4FST, HK4
    Checkpoint kinase-1 (CHK1)
    Chk1_146
    4.93 - 10.61
    2 - 10000
    15
  1023. 4FSW, HK6
    Checkpoint kinase-1 (CHK1)
    CHEMBL396034
    3.35 - 5.96
    91 - 17200
    15
  1024. 4FSZ, HK8
    Checkpoint kinase-1 (CHK1)
    Chk1_33
    3.36 - 8.08
    9 - 17200
    15
  1025. 4FT0, HK9
    Checkpoint kinase-1 (CHK1)
    Chk1_70
    6.13 - 7.94
    10 - 10000
    12
  1026. 4FT9, H4K
    Checkpoint kinase-1 (CHK1)
    Chk1_72
    1.56 - 6.54
    11 - 10000
    14
  1027. 4FTA, H5K
    Checkpoint kinase-1 (CHK1)
    Chk1_89
    1.61 - 7.69
    4 - 10000
    13
  1028. 4FTC, H6K
    Checkpoint kinase-1 (CHK1)
    Chk1_90
    1.84 - 6.63
    3 - 10000
    13
  1029. 4FTK, H9K
    Checkpoint kinase-1 (CHK1)
    Chk1_95
    6.58 - 11.31
    1.00 - 10000
    15
  1030. 4FTL, H0K
    Checkpoint kinase-1 (CHK1)
    Chk1_101
    5.81 - 10.41
    2 - 10000
    15
  1031. 4FTR, 5HK
    Checkpoint kinase-1 (CHK1)
    Chk1_80
    5.57 - 8.29
    5 - 1640
    10
  1032. 4FTU, 7HK
    Checkpoint kinase-1 (CHK1)
    Chk1_125
    4.34 - 9.49
    9 - 10000
    14
  1033. 4G0C, AZM
    Carbonic anhydrase 2
    Acetazolamide, AZA
    3.02 - 5.01
    2 - 3700
    11
  1034. 4GG5, 0J3
    Hepatocyte growth factor receptor
    CHEMBL1766528
    8.22 - 11.69
    0.72 - 10000
    15
  1035. 4STD, BFS
    Scytalone dehydratase
    CHEMBL38912
    2.88 - 6.68
    0.05 - 71000
    3
  1036. 5CAC, SO3
    Carbonic anhydrase 2
    sulfamic acid
    5.41 - 5.42
    200 - 300000000
    2
  1037. 5STD, UNN
    Scytalone dehydratase
    CHEMBL42632
    5.10 - 7.66
    0.03 - 1800
    2
  1038. 7STD, CRP
    Scytalone dehydratase
    CHEMBL40394
    6.13 - 6.81
    0.03 - 2
    2
  1039. 9GSS, GTX
    Glutathione S-transferase Pi
    CHEMBL58135
    11.45 - 14.49
    1110 - 280000
    6