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Target
Envelope glycoprotein gp160
Ligand
BDBM68186
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion.
IC50
5940±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:
BDBM68186
Synonyms:
2-({[5-[4-(tert-butyl)phenyl]-2-(methoxycarbonyl)-3-thienyl]amino}carbonyl)benzoic acid | 2-[[5-(4-tert-butylphenyl)-2-carbomethoxy-3-thienyl]carbamoyl]benzoic acid | 2-[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-thiophen-3-yl]carbamoyl]benzoic acid | 2-[[5-(4-tert-butylphenyl)-2-methoxycarbonylthiophen-3-yl]carbamoyl]benzoic acid | 2-[[[5-(4-tert-butylphenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-oxomethyl]benzoic acid | MLS000850080 | SMR000456098 | cid_2810296
Type:
Small organic molecule
Emp. Form.:
C24H23NO5S
Mol. Mass.:
437.508
SMILES:
COC(=O)c1sc(cc1NC(=O)c1ccccc1C(O)=O)-c1ccc(cc1)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: