Ligand
Ligand Name:   N-acetyl-L-alanyl-L-alanyl-N-[(2S)-1-oxopropan-2-yl]-L-prolinamide
Ligand Type:   peptide-like
Ligand ID:   COVPDB123 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=C(C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1[C@@H](CCC1)C(=O)N[C@H](C=O)C
Standard InChI:   InChI=1S/C16H26N4O5/c1-9(8-21)17-15(24)13-6-5-7-20(13)16(25)11(3)19-14(23)10(2)18-12(4)22/h8-11,13H,5-7H2,1-4H3,(H,17,24)(H,18,22)(H,19,23)/t9-,10-,11-,13-/m0/s1
Molecular Formula:   C16H26N4O5 Mol. Weight:   354.1903 logP:   -1.2897
HBD:   3 HBA:   5
#Rotatable Bonds:   7 TPSA:   124.68

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Alpha-lytic protease P00778 (PRLA_LYSEN) Lysobacter enzymogenes 3QGJ 2A1
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