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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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Citation
Author
Journal/Citation
Institution
PubMed
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Special Data Sets
D3R
Host Guest Systems
Prot-Lig Validation Sets
Other Databases
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°
Enter Data
Deposition
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Sent Comments
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rcsb
for
Thrombin and coagulation factor X
List of PDBs
1D3D
1D3P
1D3Q
1D3T
1D4P
1D6W
1D9I
1DE7
1DIT
1DM4
1DOJ
1DWB
1DWC
1DWD
1DWE
1DX5
1E0F
1EB1
1EOJ
1EOL
1ETR
1ETS
1ETT
1FPC
1FPH
1G30
1G32
1G37
1GHV
1GHW
1GHX
1GHY
1GJ4
1GJ5
1H8D
1H8I
1HAG
1HAH
1HAI
1HAO
1HAP
1HBT
1HDT
1HGT
1HLT
1HRT
1HUT
1HXE
1HXF
1ID5
1IHS
1IHT
1JMO
1JOU
1JWT
1K21
1K22
1KTS
1KTT
1LHC
1LHD
1LHE
1LHF
1LHG
1MH0
1MKW
1MKX
1MU6
1MU8
1MUE
1NM6
1NO9
1NRN
1NRO
1NRP
1NRQ
1NRR
1NRS
1NT1
1NU7
1NU9
1NY2
1NZQ
1O0D
1O2G
1O5G
1OOK
1OYT
1P8V
1PPB
1QBV
1QHR
1QJ1
1QJ6
1QJ7
1QUR
1RD3
1RIW
1SB1
1SFQ
1SG8
1SGI
1SHH
1SL3
1SR5
1T4U
1T4V
1TA2
1TA6
1TB6
1TBQ
1TBR
1TBZ
1THP
1THR
1THS
1TMB
1TMT
1TMU
1TOC
1TOM
1TQ0
1TQ7
1TWX
1UCY
1UMA
1UVS
1UVT
1UVU
1VIT
1VR1
1VZQ
1W7G
1WAY
1WBG
1XM1
1XMN
1YCP
1YPE
1YPG
1YPJ
1YPK
1YPL
1YPM
1Z71
1Z8I
1Z8J
1ZGI
1ZGV
1ZRB
2A0Q
2A1D
2A2X
2A45
2AFQ
2ANK
2ANM
2B5T
2BDY
2BVR
2BVS
2BVX
2BXT
2BXU
2C8W
2C8X
2C8Y
2C8Z
2C90
2C93
2CF8
2CF9
2CN0
2FEQ
2FES
2GDE
2GP9
2H9T
2HGT
2HNT
2HPP
2HPQ
2HWL
2JH0
2JH5
2JH6
2OCV
2OD3
2ODY
2PGB
2PGQ
2PKS
2PUX
2PV9
2PW8
2R2M
2THF
2UUF
2UUJ
2UUK
2V3H
2V3O
2ZC9
2ZDA
2ZDV
2ZF0
2ZFF
2ZFP
2ZFQ
2ZFR
2ZG0
2ZGB
2ZGX
2ZHE
2ZHF
2ZHQ
2ZHW
2ZI2
2ZIQ
2ZNK
2ZO3
3B23
3B9F
3BEF
3BEI
3BF6
3BIU
3BIV
3BV9
3C1K
3C27
3D49
3DA9
3DD2
3DHK
3DT0
3DUX
3E6P
3EDX
3EE0
3EGK
3EQ0
3F68
3GIC
3GIS
3HAT
3HK3
3HK6
3HKI
3HKJ
3HTC
3JZ1
3JZ2
3K65
3LDX
3LU9
3NXP
3P17
3P6Z
3P70
3PMA
3PMB
3PMH
3PO1
3QDZ
3QGN
3QLP
3QTO
3QTV
3QWC
3QX5
3R3G
3RLW
3RLY
3RM0
3RM2
3RML
3RMM
3RMN
3RMO
3S7H
3S7K
3SHA
3SHC
3SI3
3SI4
3SQE
3SQH
3SV2
3T5F
3TU7
3U69
3U8O
3U8R
3U8T
3U98
3U9A
3UTU
3UWJ
3VXE