Reaction Details Report a problem with these data
Target
Envelope glycoprotein gp160
Ligand
BDBM50730
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion, cell-cell fusion assay
IC50
6580±800 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:
BDBM50730
Synonyms:
MLS000762993 | SMR000438273 | Sodium; 2-benzothiazol-2-yl-5-benzyl-4-methyl-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate | cid_23673720 | sodium;2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxidanylidene-5-(phenylmethyl)pyrazolo[4,3-c]pyridin-6-olate | sodium;2-(1,3-benzothiazol-2-yl)-4-methyl-3-oxo-5-(phenylmethyl)-6-pyrazolo[4,3-c]pyridinolate | sodium;2-(1,3-benzothiazol-2-yl)-5-benzyl-3-keto-4-methyl-pyrazolo[4,3-c]pyridin-6-olate | sodium;2-(1,3-benzothiazol-2-yl)-5-benzyl-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate
Type:
Small organic molecule
Emp. Form.:
C21H15N4O2S
Mol. Mass.:
387.435
SMILES:
Cc1n(Cc2ccccc2)c(=O)cc2[n-]n(-c3nc4ccccc4s3)c(=O)c12
Structure:
Search PDB for entries with ligand similarity: