Ligand

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Ligand Name:   2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE
HET ID:   D01 PubChem:   9547923
DrugBank:   DB07605 ChEMBL:   CHEMBL1232037
Canonical SMILES:   Clc1ccc2c(c1)cc([nH]2)S(=O)(=O)N1CCN(CC1)C(=O)c1sc2c(c1)[n+]([O-])ccc2
Standard InChI:   InChI=1S/C20H17ClN4O4S2/c21-14-3-4-15-13(10-14)11-19(22-15)31(28,29)24-8-6-23(7-9-24)20(26)18-12-16-17(30-18)2-1-5-25(16)27/h1-5,10-12,22H,6-9H2
Molecular Formula:   C20H17ClN4O4S2 Mol. Weight:   476.9564 Heavy Atoms:   31
Charge:   0 Is Chiral:   False logP:   4.5678
HBD:   1 HBA:   7 TPSA:   135.56
#Bonds:   36 #Rotatable Bonds:   4 Shape Complexity:   0.2
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Coagulation factor X P00742 (FA10_HUMAN) Homo sapiens 2D1J
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