Receptor
PDB id Resolution Class Description Source Keywords
3HNB 1.15 Å NON-ENZYME: OTHER FACTOR VIII TRP2313-HIS2315 SEGMENT IS INVOLVED IN MEMBRANE SHOWN BY CRYSTAL STRUCTURE OF COMPLEX BETWEEN FACTOR VIII CA ND AN INHIBITOR HOMO SAPIENS SMALL MOLECULE INHIBITOR/BLOOD CLOTTING BLOOD CLOTTING
Ref.: TRP2313-HIS2315 OF FACTOR VIII C2 DOMAIN IS INVOLVE MEMBRANE BINDING: STRUCTURE OF A COMPLEX BETWEEN TH DOMAIN AND AN INHIBITOR OF MEMBRANE BINDING. J.BIOL.CHEM. V. 285 8824 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
768 M:1;
Valid;
none;
submit data
463.4 C23 H28 Cl2 N4 O2 [H]/N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HNB 1.15 Å NON-ENZYME: OTHER FACTOR VIII TRP2313-HIS2315 SEGMENT IS INVOLVED IN MEMBRANE SHOWN BY CRYSTAL STRUCTURE OF COMPLEX BETWEEN FACTOR VIII CA ND AN INHIBITOR HOMO SAPIENS SMALL MOLECULE INHIBITOR/BLOOD CLOTTING BLOOD CLOTTING
Ref.: TRP2313-HIS2315 OF FACTOR VIII C2 DOMAIN IS INVOLVE MEMBRANE BINDING: STRUCTURE OF A COMPLEX BETWEEN TH DOMAIN AND AN INHIBITOR OF MEMBRANE BINDING. J.BIOL.CHEM. V. 285 8824 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3HNB - 768 C23 H28 Cl2 N4 O2 [H]/N=C/1N....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3HNB - 768 C23 H28 Cl2 N4 O2 [H]/N=C/1N....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3HNB - 768 C23 H28 Cl2 N4 O2 [H]/N=C/1N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 768; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 768 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HNB; Ligand: 768; Similar sites found: 30
This union binding pocket(no: 1) in the query (biounit: 3hnb.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4U0O MTA 0.0004094 0.5316 None
2 5THQ NDP 0.04838 0.40309 None
3 3LGS SAH 0.02287 0.43261 1.25786
4 3LGS ADE 0.02287 0.43261 1.25786
5 1RTF BEN 0.0004001 0.42833 1.88679
6 2AKO ADP 0.002507 0.40862 3.14465
7 1ZOS MTM 0.01514 0.44344 3.77358
8 1P7W PRO ALA PRO PHE ALA SER ALA 0.01411 0.43782 3.77358
9 1YF4 CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 0.005079 0.40329 3.77358
10 1NW4 IMH 0.02219 0.41965 4.40252
11 1FIW PBZ 0.0008931 0.41582 4.40252
12 2WSA 646 0.02161 0.42571 5.03145
13 2WSA MYA 0.02161 0.42571 5.03145
14 3UR0 SVR 0.01919 0.41497 5.03145
15 1TKK ALA GLU 0.02274 0.40189 5.66038
16 5U3B 7TD 0.03275 0.41935 6.28931
17 1IYK MIM 0.004626 0.41656 6.28931
18 3QOX SAH 0.04369 0.40564 6.28931
19 4KX8 L2O VAL VAL ASP 0.0189 0.42116 7.54717
20 2A9W UMP 0.01938 0.40665 7.54717
21 1YB5 NAP 0.009405 0.42327 8.1761
22 5EXK MET 0.001928 0.43783 8.80503
23 4TXJ THM 0.03725 0.43135 8.80503
24 1D9I 00P 0.008445 0.42004 9.43396
25 3VXE DPN PRO ARG 0.002091 0.41788 9.43396
26 1WDK NAD 0.04194 0.40559 18.239
27 4M1U MBG A2G 0.03925 0.4097 18.5714
28 1GJC 130 0.003802 0.41194 21.7391
29 4BMX ADE 0.02099 0.43155 25.1572
30 1TMT DPN PRO ARG 0.003049 0.40122 33.3333
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