Ligand
Ligand Name:   TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE
Ligand Type:   non-polymer
Ligand ID:   COVPDB1381 PubChem:   448022
Synonym(s):  
  •   chembl92567
  • 1q6k
  • schembl8259018
  • bdbm50137816
  • db04523
  • tert-butyl [(1s)-1-cyclohexyl-2-oxoethyl]carbamate
  • q27095292
  • ((s)-1-cyclohexyl-2-oxo-ethyl)-carbamic acid tert-butyl ester
show 7 synonym(s)
DrugBank:   DB04523 ChEMBL:   CHEMBL92567
Canonical SMILES:   CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1
Standard InChI:   InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1
Molecular Formula:   C13H23NO3 Mol. Weight:   241.1678 logP:   2.6589
HBD:   1 HBA:   3
#Rotatable Bonds:   3 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) 1Q6K TCO IC50 : 26 nM PDBBind SHOW
Cathepsin K P43235 (CATK_HUMAN) Homo sapiens (Human) 1Q6K TCO IC50 : 26 nM BindingDB SHOW
Cathepsin K P43235 (CATK_HUMAN) Homo sapiens (Human) 1Q6K TCO IC50 : 26 nM Binding MOAD SHOW