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Target
Envelope glycoprotein gp160
Ligand
BDBM95267
Substrate
n/a
IC50
>67074±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:
BDBM95267
Synonyms:
1-N-cyclopropyl-4-N-(2-methylcyclohexyl)-4-N-[(3,4,5-trimethoxyphenyl)methyl]benzene-1,4-disulfonamide | Benzene-1,4-disulfonic acid 1-cyclopropylamide 4-[(2-methyl-cyclohexyl)-(3,4,5-trimethoxy-benzyl)-amide] | MLS000548376 | N-cyclopropyl-N'-(2-methylcyclohexyl)-N'-(3,4,5-trimethoxybenzyl)benzene-1,4-disulfonamide | N1-cyclopropyl-N4-(2-methylcyclohexyl)-N4-[(3,4,5-trimethoxyphenyl)methyl]benzene-1,4-disulfonamide | SMR000170977 | cid_3189855
Type:
Small organic molecule
Emp. Form.:
C26H36N2O7S2
Mol. Mass.:
552.703
SMILES:
COc1cc(CN(C2CCCCC2C)S(=O)(=O)c2ccc(cc2)S(=O)(=O)NC2CC2)cc(OC)c1OC
Structure:
Search PDB for entries with ligand similarity: