COVPDB

Ligand

Ligand Name: MOL-127
Ligand Type: peptide-like
Ligand ID: COVPDB3	PubChem: 9871065
Synonym(s): chembl32182 bdbm50076229 (1s,7s)-7-amino-7-benzyl-8-oxo-hexahydro-pyrazolo[1,2-a]pyridazine-1-carboxylic acid [(s)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-amide (1s,7s)-7-amino-7-benzyl-n-((s)-5-guanidino-1-oxo-1-(thiazol-2-yl)pentan-2-yl)-8-oxo-hexahydro-1h-pyrazolo[1,2-a]pyridazine-1-carboxamide show 3 synonym(s)
DrugBank: -	ChEMBL: CHEMBL32182
Canonical SMILES: NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)c1nccs1
Standard InChI: InChI=1S/C24H32N8O3S/c25-23(26)29-10-4-7-17(19(33)21-28-11-14-36-21)30-20(34)18-8-12-31-13-9-24(27,22(35)32(18)31)15-16-5-2-1-3-6-16/h1-3,5-6,11,14,17-18H,4,7-10,12-13,15,27H2,(H,30,34)(H4,25,26,29)/t17-,18-,24+/m0/s1
Molecular Formula: C24H32N8O3S	Mol. Weight: 512.2318	logP: 0.23567
HBD: 5	HBA: 8
#Rotatable Bonds: 10	TPSA: 170.53