Target
Envelope glycoprotein gp160
Ligand
BDBM61769
Substrate
n/a
IC50
>67035±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:
BDBM61769
Synonyms:
4-[[4-(2-furoylamino)benzoyl]amino]benzoic acid methyl ester | 4-[[[4-[[2-furanyl(oxo)methyl]amino]phenyl]-oxomethyl]amino]benzoic acid methyl ester | MLS001123757 | SMR000665860 | cid_1295575 | methyl 4-[[4-(furan-2-carbonylamino)benzoyl]amino]benzoate | methyl 4-[[4-(furan-2-ylcarbonylamino)phenyl]carbonylamino]benzoate
Type:
Small organic molecule
Emp. Form.:
C20H16N2O5
Mol. Mass.:
364.3514
SMILES:
COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: