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Target
Envelope glycoprotein gp160
Ligand
BDBM61199
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion.
IC50
15100±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:
BDBM61199
Synonyms:
4-({4-[(E)-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzoic acid | 4-[[4-[(E)-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)methyl]phenoxy]methyl]benzoic acid | 4-[[4-[(E)-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzoic acid | 4-[[4-[(E)-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)methyl]phenoxy]methyl]benzoic acid | 4-[[4-[(E)-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)methyl]phenoxy]methyl]benzoic acid | 4-[[4-[(Z)-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)methyl]phenoxy]methyl]benzoic acid | MLS000686360 | SMR000313203 | cid_16194028
Type:
Small organic molecule
Emp. Form.:
C27H24N2O4
Mol. Mass.:
440.4905
SMILES:
CCC=c1[nH]n(-c2ccccc2)c(=O)c1=Cc1ccc(OCc2ccc(cc2)C(O)=O)cc1 |w:2.1,15.17|
Structure:
Search PDB for entries with ligand similarity: