Ligand
Ligand Name:   N-[(2S)-2-{1-[(5E)-1-chloro-2-oxohept-5-en-3-yl]-1H-1,2,3-triazol-4-yl}-3-methylbutan-2-yl]benzamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB890 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C/C=C/C[C@H](C(=O)CCl)n1cc(nn1)[C@](C)(C(C)C)NC(=O)c2ccccc2
Standard InChI:   InChI=1S/C21H27ClN4O2/c1-5-6-12-17(18(27)13-22)26-14-19(24-25-26)21(4,15(2)3)23-20(28)16-10-8-7-9-11-16/h5-11,14-15,17H,12-13H2,1-4H3,(H,23,28)/b6-5+/t17-,21+/m1/s1
Molecular Formula:   C21H27ClN4O2 Mol. Weight:   402.18225 logP:   3.8945
HBD:   1 HBA:   5
#Rotatable Bonds:   9 TPSA:   76.88

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Cathepsin S P25774 (CATS_HUMAN) Homo sapiens (Human) 2HXZ H7J
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