COVPDB

Ligand

Ligand Name: (D)PHE-PRO-BOROPHE(M-CN)
Ligand Type: non-polymer
Ligand ID: COVPDB1235	PubChem: 5289192
Synonym(s): 1-{[1-(2-amino-3-phenyl-propionyl)-pyrrolidine-2-carbonyl]-amino}-2-(3-cyano-phenyl)-ethaneboronic acid db08420 q27097627 d-phenylalanyl-n-[(1r)-2-(3-cyanophenyl)-1-(dihydroxyboranyl)ethyl]-l-prolinamide show 3 synonym(s)
DrugBank: DB08420	ChEMBL: CHEMBL1235400
Canonical SMILES: N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc(c1)C#N)B(O)O
Standard InChI: InChI=1S/C23H27BN4O4/c25-15-18-9-4-8-17(12-18)14-21(24(31)32)27-22(29)20-10-5-11-28(20)23(30)19(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19-21,31-32H,5,10-11,13-14,26H2,(H,27,29)/t19-,20+,21+/m1/s1
Molecular Formula: C23H27BN4O4	Mol. Weight: 434.21252	logP: 0.15858
HBD: 4	HBA: 6
#Rotatable Bonds: 8	TPSA: 139.68