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Target
Envelope glycoprotein gp160
Ligand
BDBM70237
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion.
IC50
10500±n/a nM
Citation
 PubChem, PC SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion. PubChem Bioassay (2010)[AID] 
Target
Name:
Envelope glycoprotein gp160
Synonyms:
envelope glycoprotein
Type:
Enzyme Catalytic Domain
Mol. Mass.:
91798.58
Organism:
Human immunodeficiency virus 1
Description:
gi_45357394
Residue:
814
Sequence:
MRVKGIRRNYQHLWRWGTMLLGMLMICSAKEQLWVTAYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPREVVMGNVTEEFNIWNNSMVEQMHEDIISLWDESLKPCVKLTPLCVTFNCTNYNGTRNGTTTEPPEVKNCTTKETGIKNCSFNIATSGVEDRFKKEYALLYTADIVQIDNSSINYTLIGCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGKGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEVVIRSDNFSDNAKTIIVQLKDPVVINCTRPNNNTRKGIRIGPGRTFYTTERIIGDIRQAHCNISRTQWNNTLRLIAAKLKKQFNNKTIIFRNSSGGDPEIVMHSFNCGGEFFYCNTTQLFNSTWVHNNTWVHNNTGNDTEEGTITLPCRIKQIINMWQEVGKAMYAPPIKGQIRCSSNITGLILTRDGGNTSSNNETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKARRRVVQREKRAVGMLGAMFLGFLGAAGSTMGAASLALTVQARQVVSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARVLAVERYLGDQQLLGIWGCSGKLICTTAVPWNDSWSNKSLKYIWDNMTWMQWEKEIDIHVDTIYQLLEASQYQQEKNEKDLLELDKWESLWNWFDITNWLWYIKIFIMIVGGLIGLRIVFTVLSIVNRVRQGYSPLSLQTRLPTQRGPDRPEGIEEEGGERQRHIRSISEWILNNYPGRPAEPVPLQLPPLERLTLDCNEDCGTSGTQGVGSPQVFVESPPVLESGTKEECC
  
Inhibitor
Name:
BDBM70237
Synonyms:
2-[3-hydroxy-2-keto-4-(5-methyl-2-furoyl)-5-(3-nitrophenyl)-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester | 2-[4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester | MLS-0386091.0001 | cid_2917753 | ethyl 2-[4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate | ethyl 4-methyl-2-[3-(5-methylfuran-2-yl)carbonyl-2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]-1,3-thiazole-5-carboxylate
Type:
Small organic molecule
Emp. Form.:
C23H19N3O8S
Mol. Mass.:
497.477
SMILES:
CCOC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1cccc(c1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: