COVPDB

Ligand

Ligand Name: AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH
Ligand Type: non-polymer
Ligand ID: COVPDB700	PubChem: 5288067
Synonym(s): db07660 q27096880 n-acetyl-d-phenylalanyl-n-[(1r)-4-amino-1-(dihydroxyboranyl)butyl]-l-prolinamide ((r)-1-((s)-1-((r)-2-acetamido-3-phenylpropanoyl)pyrrolidine-2-carboxamido)-4-aminobutyl)boronic acid show 3 synonym(s)
DrugBank: DB07660	ChEMBL: CHEMBL1232231
Canonical SMILES: CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)B(O)O
Standard InChI: InChI=1S/C20H31BN4O5/c1-14(26)23-16(13-15-7-3-2-4-8-15)20(28)25-12-6-9-17(25)19(27)24-18(21(29)30)10-5-11-22/h2-4,7-8,16-18,29-30H,5-6,9-13,22H2,1H3,(H,23,26)(H,24,27)/t16-,17+,18+/m1/s1
Molecular Formula: C20H31BN4O5	Mol. Weight: 418.23874	logP: -1.0395
HBD: 5	HBA: 6
#Rotatable Bonds: 10	TPSA: 144.99