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Target
Envelope glycoprotein gp160
Ligand
BDBM54020
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion.
IC50
6250±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:
BDBM54020
Synonyms:
(2E)-2-(1,3-benzothiazol-2-yl)-3-(4-hydroxy-3-nitrophenyl)acrylonitrile | (2E,3Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)propanenitrile | (2E,3Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)propanenitrile | (2E,3Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile | (2E,3Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)propionitrile | MLS000681744 | SMR000312787 | cid_16195604
Type:
Small organic molecule
Emp. Form.:
C16H9N3O3S
Mol. Mass.:
323.326
SMILES:
[O-][N+](=O)c1c[c-](\C=C(/C#N)c2[nH+]c3ccccc3s2)ccc1=O
Structure:
Search PDB for entries with ligand similarity: