Ligand
Ligand Name:   B1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE
Ligand Type:   non-polymer
Ligand ID:   COVPDB929 PubChem:   10814548
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1ccccc1-c2cc(ccc2)[C@@H](CC(C)C)C(=O)NCC(=O)CNS(=O)(=O)c3ccccn3
Standard InChI:   InChI=1S/C26H29N3O4S/c1-19(2)15-24(22-12-8-11-21(16-22)20-9-4-3-5-10-20)26(31)28-17-23(30)18-29-34(32,33)25-13-6-7-14-27-25/h3-14,16,19,24,29H,15,17-18H2,1-2H3,(H,28,31)/t24-/m1/s1
Molecular Formula:   C26H29N3O4S Mol. Weight:   479.18787 logP:   3.5421
HBD:   2 HBA:   5
#Rotatable Bonds:   11 TPSA:   105.23

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) 1BGO I10 Ki : 3.5 nM PDBBind SHOW