COVPDB

Ligand

Ligand Name: EC04
Ligand Type: non-polymer
Ligand ID: COVPDB455	PubChem: 49837399
Synonym(s): schembl3662015 chembl1277225 boronic acid transition state inhibitor ec04 3-[(2r)-2-borono-2-[[2-(2-thienyl)acetyl]amino]ethyl]benzoic acid 3-((r)-2-dihydroxyboryl-2-(1-oxo-2-(2-thienyl)ethylamino)ethyl)benzoic acid show 4 synonym(s)
DrugBank: -	ChEMBL: CHEMBL1277225
Canonical SMILES: OB(O)[C@H](Cc1cccc(c1)C(O)=O)NC(=O)Cc1cccs1
Standard InChI: InChI=1S/C15H16BNO5S/c18-14(9-12-5-2-6-23-12)17-13(16(21)22)8-10-3-1-4-11(7-10)15(19)20/h1-7,13,21-22H,8-9H2,(H,17,18)(H,19,20)/t13-/m0/s1
Molecular Formula: C15H16BNO5S	Mol. Weight: 333.08423	logP: 0.7283
HBD: 4	HBA: 5
#Rotatable Bonds: 7	TPSA: 106.86