Ligand |
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Ligand Name: (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB654 | PubChem: 10062713 | |
Synonym(s):
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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 |