Target
Envelope glycoprotein gp160
Ligand
BDBM50618
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion, cell-cell fusion assay
IC50
3500±500 nM
Citation
 PubChem, PC SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion, cell-cell fusion assay 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:
BDBM50618
Synonyms:
3-(4-Carboxy-benzyl)-4-(3,5-di-tert-butyl-4-hydroxy-phenyl)-2-phenylamino-thiazol-3-ium | 4-[[2-anilino-4-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-3-ium-3-yl]methyl]benzoic acid;bromide | 4-[[2-anilino-4-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-3-ium-3-yl]methyl]benzoic acid;hydrobromide | 4-[[2-anilino-4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-3-ium-3-yl]methyl]benzoic acid;bromide | 4-[[2-anilino-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-thiazol-3-iumyl]methyl]benzoic acid;bromide | 4-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]methyl]benzoic acid;bromide | MLS000777664 | SMR000414058 | cid_16682164
Type:
Small organic molecule
Emp. Form.:
C31H35N2O3S
Mol. Mass.:
515.686
SMILES:
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1cs\c(=[NH+]/c2ccccc2)n1Cc1ccc(cc1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: