Ligand
Ligand Name:   Z-Phe-Tyr (OBut)-COCHO
Ligand Type:   peptide-like
Ligand ID:   COVPDB928 PubChem:   11663725
Synonym(s):  
  •   (3s)-2-oxo-3-[[n-(benzyloxycarbonyl)-l-phenylalanyl]amino]-4-(4-tert-butoxyphenyl)butanal
DrugBank:   - ChEMBL:   CHEMBL1233485
Canonical SMILES:   CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)C=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3
Standard InChI:   InChI=1S/C31H34N2O6/c1-31(2,3)39-25-16-14-23(15-17-25)18-26(28(35)20-34)32-29(36)27(19-22-10-6-4-7-11-22)33-30(37)38-21-24-12-8-5-9-13-24/h4-17,20,26-27H,18-19,21H2,1-3H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
Molecular Formula:   C31H34N2O6 Mol. Weight:   530.2417 logP:   4.1969
HBD:   2 HBA:   6
#Rotatable Bonds:   12 TPSA:   110.8

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) 3OF8 I0Y Ki : 0.6 nM PDBBind SHOW