Ligand
Ligand Name:   (2S,4R)-4-(2-chlorobenzenesulfonyl)-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB215 PubChem:   46945615
Synonym(s):  
  •   chembl2335179
  • schembl695397
  • bdbm50428488
show 2 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL2335179
Canonical SMILES:   Clc1ccc(cc1)C2(CC2)C(=O)N3C[C@@H](C[C@H]3C(=O)NC4(C#N)CC4)S(=O)(=O)c5ccccc5Cl
Standard InChI:   InChI=1S/C25H23Cl2N3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,18,20H,9-14H2,(H,29,31)/t18-,20+/m1/s1
Molecular Formula:   C25H23Cl2N3O4S Mol. Weight:   531.0786 logP:   3.64078
HBD:   1 HBA:   5
#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) 2XU1 424 IC50 : 22 nM PDBBind SHOW
Procathepsin L P07711 (CATL1_HUMAN) Homo sapiens (Human) 2YJC 424 IC50 : 22 nM PDBBind SHOW