Ligand
Ligand Name:   N-{(1R)-3-phenyl-1-[2-(phenylsulfonyl)ethenyl]propyl}-N~2~-(piperazin-1-ylcarbonyl)-L-leucinamide
Ligand Type:   peptide-like
Ligand ID:   COVPDB11 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)C[C@H](NC(=O)N1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1
Standard InChI:   InChI=1S/C28H38N4O4S/c1-22(2)21-26(31-28(34)32-18-16-29-17-19-32)27(33)30-24(14-13-23-9-5-3-6-10-23)15-20-37(35,36)25-11-7-4-8-12-25/h3-12,15,20,22,24,26,29H,13-14,16-19,21H2,1-2H3,(H,30,33)(H,31,34)/b20-15+/t24-,26-/m0/s1
Molecular Formula:   C28H38N4O4S Mol. Weight:   526.26135 logP:   3.1211
HBD:   3 HBA:   5
#Rotatable Bonds:   11 TPSA:   107.61

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) 1MEM 0D6 Ki : 11.5 nM PDBBind SHOW