Ligand

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Ligand Name:   4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE
HET ID:   RTR PubChem:   447362
DrugBank:   DB08495 ChEMBL:   CHEMBL48813
Canonical SMILES:   Clc1ccc2c(c1)sc(c2)S(=O)(=O)N1CCN(C(=O)C1)Cc1ccc(cc1)C(=N)N
Standard InChI:   InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23)
Molecular Formula:   C20H19ClN4O3S2 Mol. Weight:   462.97287 Heavy Atoms:   30
Charge:   0 Is Chiral:   False logP:   4.6285
HBD:   2 HBA:   8 TPSA:   144.18
#Bonds:   33 #Rotatable Bonds:   5 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 1NFY Ki : 1.0 nM, Ki : 1.3 nM BindingDB SHOW
Coagulation factor X P00742 (FA10_HUMAN) Homo sapiens 1NFY Ki : 1.3 nM Binding MOAD SHOW