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Target
Envelope glycoprotein gp160
Ligand
BDBM95255
Substrate
n/a
IC50
6046±n/a nM
Citation
 PubChem, PC TRFRET-based biochemical high throughput dose response assay for 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:
BDBM95255
Synonyms:
2-amino-4-(4-isopropylphenyl)-6-{[2-oxo-2-(1-piperidinyl)ethyl]thio}-3,5-pyridinedicarbonitrile | 2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile | 2-amino-6-[(2-keto-2-piperidino-ethyl)thio]-4-p-cumenyl-dinicotinonitrile | 2-amino-6-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile | 2-azanyl-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile | MLS000535596 | SMR000143032 | cid_2197541
Type:
Small organic molecule
Emp. Form.:
C23H25N5OS
Mol. Mass.:
419.543
SMILES:
CC(C)c1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)N2CCCCC2)c1C#N
Structure:
Search PDB for entries with ligand similarity: