Ligand
Ligand Name:   N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE
Ligand Type:   non-polymer
Ligand ID:   COVPDB1138 PubChem:   5288988
Synonym(s):  
  •   db03456
  • q27094384
  • n~2~-[(benzyloxy)carbonyl]-n-[(3r)-1-cyanopyrrolidin-3-yl]-l-leucinamide
show 2 synonym(s)
DrugBank:   DB03456 ChEMBL:   CHEMBL1234636
Canonical SMILES:   N#CN1C[C@@H](CC1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2
Standard InChI:   InChI=1S/C19H26N4O3/c1-14(2)10-17(18(24)21-16-8-9-23(11-16)13-20)22-19(25)26-12-15-6-4-3-5-7-15/h3-7,14,16-17H,8-12H2,1-2H3,(H,21,24)(H,22,25)/t16-,17+/m1/s1
Molecular Formula:   C19H26N4O3 Mol. Weight:   358.2005 logP:   1.99908
HBD:   2 HBA:   5
#Rotatable Bonds:   7 TPSA:   94.46

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cathepsin K P43235 (CATK_HUMAN) Homo sapiens (Human) 1YK7 NBL IC50 : 19 nM PDBBind SHOW