COVPDB

Ligand

Ligand Name: BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE
Ligand Type: non-polymer
Ligand ID: COVPDB128	PubChem: 5287468
Synonym(s): chembl286364 sb-357114 azepan-3-one compound 1 schembl15281233 bdbm19769 db03642 (2s)-2-(1-benzofuran-2-ylformamido)-4-methyl-n-[(4s)-3-oxo-1-(pyridine-2-sulfonyl)azepan-4-yl]pentanamide n-[(1s)-3-methyl-1-{[(4s)-3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-yl]carbamoyl}butyl]-1-benzofuran-2-carboxamide n-[(2s)-4-methyl-1-oxo-1-{[(4s)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-2-pentanyl]-1-benzofuran-2-carboxamide show 8 synonym(s)
DrugBank: DB03642	ChEMBL: CHEMBL286364
Canonical SMILES: c1cccc(c12)cc(o2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]3CCCN(CC3=O)S(=O)(=O)c4ccccn4
Standard InChI: InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1
Molecular Formula: C26H30N4O6S	Mol. Weight: 526.1886	logP: 2.5109
HBD: 2	HBA: 7
#Rotatable Bonds: 8	TPSA: 138.68