Ligand
Ligand Name:   (2S,4R)-4-(2-chlorobenzenesulfonyl)-1-[1-(5-chlorothiophen-2-yl)cyclopropanecarbonyl]-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1472 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   Clc1ccc(s1)C2(CC2)C(=O)N3C[C@@H](C[C@H]3C(=O)NC4(C#N)CC4)S(=O)(=O)c5ccccc5Cl
Standard InChI:   InChI=1S/C23H21Cl2N3O4S2/c24-15-3-1-2-4-17(15)34(31,32)14-11-16(20(29)27-22(13-26)7-8-22)28(12-14)21(30)23(9-10-23)18-5-6-19(25)33-18/h1-6,14,16H,7-12H2,(H,27,29)/t14-,16+/m1/s1
Molecular Formula:   C23H21Cl2N3O4S2 Mol. Weight:   537.03503 logP:   3.70228
HBD:   1 HBA:   6
#Rotatable Bonds:   6 TPSA:   107.34

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Procathepsin L P07711 (CATL1_HUMAN) Homo sapiens (Human) 2XU3 XU3 IC50 : 160 nM PDBBind SHOW