Ligand
Ligand Name:   (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE
Ligand Type:   non-polymer
Ligand ID:   COVPDB654 PubChem:   10062713
Synonym(s):  
  •   chembl113948
  • bdbm50148298
  • db07592
  • q27096813
  • (1r)-1-benzyl-2-methylpropyl [(1s)-1-formylpentyl]carbamate
  • (r)-3-methyl-1-phenylbutan-2-yl (s)-1-oxohexan-2-ylcarbamate
  • ((s)-1-formyl-pentyl)-carbamic acid (r)-1-benzyl-2-methyl-propyl ester
  • (2r)-3-methyl-1-phenyl-2-butanyl [(2s)-1-oxo-2-hexanyl]carbamate
show 7 synonym(s)
DrugBank:   DB07592 ChEMBL:   CHEMBL113948
Canonical SMILES:   CCCC[C@@H](C=O)NC(=O)O[C@@H](C(C)C)Cc1ccccc1
Standard InChI:   InChI=1S/C18H27NO3/c1-4-5-11-16(13-20)19-18(21)22-17(14(2)3)12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,4-5,11-12H2,1-3H3,(H,19,21)/t16-,17+/m0/s1
Molecular Formula:   C18H27NO3 Mol. Weight:   305.1991 logP:   3.7376
HBD:   1 HBA:   3
#Rotatable Bonds:   9 TPSA:   55.4

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) 2AUX CT1 IC50 : 0.5 nM PDBBind SHOW
Cathepsin K P43235 (CATK_HUMAN) Homo sapiens (Human) 2AUX CT1 IC50 : 0.5 nM BindingDB SHOW