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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
Chemical Structure
Pathways
Source Organism
Number of Compounds
Monomer List in csv
Het List in SDF
Compound
FDA Drugs
Important Compounds
Chemical Structure
Name
SMILES
Number of Data
/
Targets
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Author
Journal/Citation
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PDB
85%
100%
Seq ID
UniProtKB/Swiss-Prot
UniProtKB/TrEMBL
PubMed
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All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Deposition
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rcsb
for
Beta-secretase 1
List of PDBs
1FKN
1M4H
1SGZ
1TQF
1W50
1W51
1XN2
1XN3
1XS7
1YM2
1YM4
2B8L
2B8V
2F3E
2F3F
2FDP
2G94
2HIZ
2HM1
2IQG
2IRZ
2IS0
2NTR
2OAH
2OF0
2OHK
2OHL
2OHM
2OHN
2OHP
2OHQ
2OHR
2OHS
2OHT
2OHU
2P4J
2P83
2P8H
2PH6
2PH8
2Q11
2Q15
2QK5
2QMD
2QMF
2QMG
2QP8
2QU2
2QU3
2QZK
2QZL
2VA5
2VA6
2VA7
2VIE
2VIJ
2VIY
2VIZ
2VJ6
2VJ7
2VJ9
2VKM
2VNM
2VNN
2WEZ
2WF0
2WF1
2WF2
2WF3
2WF4
2WJO
2XFI
2XFJ
2XFK
2ZDZ
2ZE1
2ZHR
2ZHS
2ZHT
2ZHU
2ZHV
2ZJH
2ZJI
2ZJJ
2ZJK
2ZJL
2ZJM
2ZJN
3BRA
3BUF
3BUG
3BUH
3CIB
3CIC
3CID
3CKP
3CKR
3DM6
3DUY
3DV1
3DV5
3EXO
3FKT
3H0B
3HVG
3HW1
3I25
3IGB
3IN3
3IN4
3IND
3INE
3INF
3INH
3IVH
3IVI
3IXJ
3IXK
3K5C
3K5D
3K5F
3K5G
3KMX
3KMY
3KN0
3KYR
3L38
3L3A
3L58
3L59
3L5B
3L5C
3L5D
3L5E
3L5F
3LHG
3LNK
3LPI
3LPJ
3LPK
3MSJ
3MSK
3MSL
3N4L
3NSH
3OHF
3OHH
3OOZ
3PI5
3QBH
3QI1
3R1G
3R2F
3RSV
3RSX
3RTH
3RTM
3RTN
3RU1
3RVI
3S2O
3S7L
3S7M
3SKF
3SKG
3TPJ
3TPL
3TPP
3TPR
3U6A
3UDH
3UDJ
3UDK
3UDM
3UDN
3UDP
3UDQ
3UDR
3UDY
3UFL
3UQP
3UQR
3UQU
3UQW
3UQX
3VEU
3VF3
3VG1
3VV6
3VV7
3VV8
3WB4
3WB5
3ZMG
3ZOV
4ACU
4ACX
4AZY
4B00
4B05
4B0Q
4B1C
4B1D
4B1E
4B70
4B72
4B77
4B78
4BEK
4BFD
4D83
4D85
4D88
4D89
4D8C
4DH6
4DI2
4DJU
4DJV
4DJW
4DJX
4DJY
4DPF
4DPI
4DUS
4DV9
4DVF
4EWO
4EXG
4FCO
4FGX
4FM7
4FM8
4FRI
4FRJ
4FRK
4FRS
4FS4
4FSE
4FSL
4GID
4GMI
4H1E
4H3F
4H3G
4H3I
4H3J
4HA5
4HZT
4I0D
4I0E
4I0F
4I0G
4I0H
4I0I
4I0J
4I0Z
4I10
4I11
4I12
4I1C
4IVS
4IVT
4J0P
4J0T
4J0V
4J0Y
4J0Z
4J17
4J1C
4J1E
4J1F
4J1H
4J1I
4J1K
4JOO
4JP9
4JPC
4JPE
4K8S
4K9H
4KE0
4KE1
4L7G
4L7H
4L7J
4LC7
4LXA
4LXK
4LXM
4N00
4PZW
4PZX
4R5N
4R8Y
4R91
4R92
4R93
4R95
4RCD