Ligand
Ligand Name:   (2S) N-ACETYL-L-ALANYL-L-PHENYLALANYL-CHLOROETHYL KETONE
Ligand Type:   non-polymer
Ligand ID:   COVPDB905 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[C@H](Cl)C)Cc1ccccc1
Standard InChI:   InChI=1S/C16H21ClN2O3/c1-10(17)15(21)14(9-13-7-5-4-6-8-13)19-16(22)11(2)18-12(3)20/h4-8,10-11,14H,9H2,1-3H3,(H,18,20)(H,19,22)/t10-,11+,14+/m1/s1
Molecular Formula:   C16H21ClN2O3 Mol. Weight:   324.12408 logP:   1.4349
HBD:   2 HBA:   3
#Rotatable Bonds:   7 TPSA:   75.27

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Chymotrypsinogen A P00766 (CTRA_BOVIN) Bos taurus (Bovine) 2GMT HIN
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