COVPDB

Ligand

Ligand Name: AG7404
Ligand Type: non-polymer
Ligand ID: COVPDB1468	PubChem: 5280053
Synonym(s): ag-7404 (s,e)-ethyl 4-((s)-2-(3-(5-methylisoxazole-3-carboxamido)-2-oxopyridin-1(2h)-yl)pent-4-ynamido)-5-((s)-2-oxopyrrolidin-3-yl)pent-2-enoate 343565-99-1 unii-vq1an3oo42 vq1an3oo42 chembl141157 schembl20687394 (2e,4s)-4-[[(2s)-2-[2-oxo-3-[(5-methyl-3-isoxazolyl)carbonylamino]-1,2-dihydropyridine-1-yl]-4-pentynoyl]amino]-5-[(3s)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid ethyl ester (e)-(s)-4-((s)-2-{3-[(5-methyl-isoxazole-3-carbonyl)-amino]-2-oxo-2h-pyridin-1-yl}-pent-4-yloylamino)-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester ethyl (e,4s)-4-[[(2s)-2-[3-[(5-methylisoxazole-3-carbonyl)amino]-2-oxo-1-pyridyl]pent-4-ynoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate show 9 synonym(s)
DrugBank: -	ChEMBL: CHEMBL141157
Canonical SMILES: O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](CC#C)n2cccc(c2=O)NC(=O)c3cc(C)on3
Standard InChI: InChI=1S/C26H29N5O7/c1-4-7-21(31-13-6-8-19(26(31)36)29-24(34)20-14-16(3)38-30-20)25(35)28-18(9-10-22(32)37-5-2)15-17-11-12-27-23(17)33/h1,6,8-10,13-14,17-18,21H,5,7,11-12,15H2,2-3H3,(H,27,33)(H,28,35)(H,29,34)/b10-9+/t17-,18+,21-/m0/s1
Molecular Formula: C26H29N5O7	Mol. Weight: 523.2067	logP: 1.09172
HBD: 3	HBA: 9
#Rotatable Bonds: 11	TPSA: 161.63