Reaction Details Report a problem with these data
Target
Envelope glycoprotein gp160
Ligand
BDBM53816
Substrate
n/a
Meas. Tech.
SAR analysis of compounds that inhibit Human Immunodeficiency Virus Fusion, cell-cell fusion assay
IC50
3200±400 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:
BDBM53816
Synonyms:
(6Z)-5-azanylidene-6-[(5-phenylfuran-2-yl)methylidene]-3-propan-2-ylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one | (6Z)-5-imino-3-(isopropylsulfonyl)-6-[(5-phenyl-2-furyl)methylene]-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one | (6Z)-5-imino-3-isopropylsulfonyl-6-[(5-phenyl-2-furyl)methylene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one | (6Z)-5-imino-6-[(5-phenyl-2-furanyl)methylidene]-3-propan-2-ylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one | (6Z)-5-imino-6-[(5-phenylfuran-2-yl)methylidene]-3-propan-2-ylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one | MLS000583145 | SMR000206331 | cid_12005262
Type:
Small organic molecule
Emp. Form.:
C19H16N4O4S2
Mol. Mass.:
428.485
SMILES:
CC(C)S(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(o3)-c3ccccc3)C(=N)N12 |t:6,9|
Structure:
Search PDB for entries with ligand similarity: