Ligand
Ligand Name:   AZ13010160
Ligand Type:   non-polymer
Ligand ID:   COVPDB549 PubChem:   44517711
Synonym(s):  
  •   chembl557455
DrugBank:   - ChEMBL:   CHEMBL557455
Canonical SMILES:   Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(c1)-c1nnc(CN)o1)C(=O)NCC#N)C(C)(C)C
Standard InChI:   InChI=1S/C23H28N8O3/c1-23(2,3)18-12-17(31(4)30-18)21(33)27-16(20(32)26-9-8-24)11-14-6-5-7-15(10-14)22-29-28-19(13-25)34-22/h5-7,10,12,16H,9,11,13,25H2,1-4H3,(H,26,32)(H,27,33)/t16-/m0/s1
Molecular Formula:   C23H28N8O3 Mol. Weight:   464.22842 logP:   1.20718
HBD:   3 HBA:   9
#Rotatable Bonds:   8 TPSA:   164.75

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) 3HWN BD3 IC50 : 2 nM PDBBind SHOW