Target
Envelope glycoprotein gp160
Ligand
BDBM66187
Substrate
n/a
IC50
38146±n/a nM
Citation
 PubChem, PC Counterscreen for discovery of small molecules that bind to the HIV-1-gp120 binding antibody, PG9 PubChem Bioassay (2012)[AID] 
Target
Name:
Envelope glycoprotein gp160
Synonyms:
ENV_HV1H2 | Envelope polyprotein GP160 | Envelope surface glycoprotein gp160, precursor | HIV-1 B HXB2-LAI-IIIB-BRU | env
Type:
n/a
Mol. Mass.:
97241.93
Organism:
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)
Description:
n/a
Residue:
856
Sequence:
MRVKEKYQHLWRWGWRWGTMLLGMLMICSATEKLWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEVVLVNVTENFNMWKNDMVEQMHEDIISLWDQSLKPCVKLTPLCVSLKCTDLKNDTNTNSSSGRMIMEKGEIKNCSFNISTSIRGKVQKEYAFFYKLDIIPIDNDTTSYKLTSCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGTGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEEVVIRSVNFTDNAKTIIVQLNTSVEINCTRPNNNTRKRIRIQRGPGRAFVTIGKIGNMRQAHCNISRAKWNNTLKQIASKLREQFGNNKTIIFKQSSGGDPEIVTHSFNCGGEFFYCNSTQLFNSTWFNSTWSTEGSNNTEGSDTITLPCRIKQIINMWQKVGKAMYAPPISGQIRCSSNITGLLLTRDGGNSNNESEIFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKAKRRVVQREKRAVGIGALFLGFLGAAGSTMGAASMTLTVQARQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAVERYLKDQQLLGIWGCSGKLICTTAVPWNASWSNKSLEQIWNHTTWMEWDREINNYTSLIHSLIEESQNQQEKNEQELLELDKWASLWNWFNITNWLWYIKLFIMIVGGLVGLRIVFAVLSIVNRVRQGYSPLSFQTHLPTPRGPDRPEGIEEEGGERDRDRSIRLVNGSLALIWDDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWEALKYWWNLLQYWSQELKNSAVSLLNATAIAVAEGTDRVIEVVQGACRAIRHIPRRIRQGLERILL
  
Inhibitor
Name:
BDBM66187
Synonyms:
5,5-Dimethyl-2-thioxo-2,3,5,6-tetrahydro-1H-benzo[h]quinazolin-4-one | 5,5-dimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one | 5,5-dimethyl-2-thioxo-1,6-dihydrobenzo[h]quinazolin-4-one | MLS001211957 | SMR000505168 | cid_713572
Type:
Small organic molecule
Emp. Form.:
C14H14N2OS
Mol. Mass.:
258.339
SMILES:
CC1(C)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c12
Structure:
Search PDB for entries with ligand similarity: