Ligand

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Ligand Name:   1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide
HET ID:   FXI PubChem:   16741240
DrugBank:   - ChEMBL:   CHEMBL1232872
Canonical SMILES:   CCCCN(C1(CC1)C(=O)Nc1ccc(cc1F)c1ccccc1S(=O)(=O)C)C(=O)Nc1ccc(cc1)Cl
Standard InChI:   InChI=1S/C28H29ClFN3O4S/c1-3-4-17-33(27(35)31-21-12-10-20(29)11-13-21)28(15-16-28)26(34)32-24-14-9-19(18-23(24)30)22-7-5-6-8-25(22)38(2,36)37/h5-14,18H,3-4,15-17H2,1-2H3,(H,31,35)(H,32,34)
Molecular Formula:   C28H29ClFN3O4S Mol. Weight:   558.06396 Heavy Atoms:   38
Charge:   0 Is Chiral:   False logP:   7.5817
HBD:   2 HBA:   7 TPSA:   103.96
#Bonds:   41 #Rotatable Bonds:   12 Shape Complexity:   0.2857143
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 2Q1J IC50 : 0.8 nM PDBBind SHOW
Coagulation factor X P00742 (FA10_HUMAN) Homo sapiens 2Q1J IC50 : 0.8 nM Binding MOAD SHOW