Ligand
Ligand Name:   AZ12878478
Ligand Type:   non-polymer
Ligand ID:   COVPDB1150 PubChem:   44224136
Synonym(s):  
  •   chembl565079
  • bdbm31993
  • dipeptidyl nitrile inhibitor, 26
  • 225120-45-6
show 3 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL565079
Canonical SMILES:   Cc1cccc(c1)C[C@@H](C(=O)NCC#N)NC(=O)c2cc(C(C)(C)C)nn2C
Standard InChI:   InChI=1S/C21H27N5O2/c1-14-7-6-8-15(11-14)12-16(19(27)23-10-9-22)24-20(28)17-13-18(21(2,3)4)25-26(17)5/h6-8,11,13,16H,10,12H2,1-5H3,(H,23,27)(H,24,28)/t16-/m0/s1
Molecular Formula:   C21H27N5O2 Mol. Weight:   381.21646 logP:   2.0069
HBD:   2 HBA:   5
#Rotatable Bonds:   6 TPSA:   99.81

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) 3HHA NOW IC50 : 12.6 nM PDBBind SHOW