new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHIV-1 B HXB2-LAI-IIIB-BRU
LigandBDBM95255
Substrate/Competitorn/a
IC50 3442±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]
More Info.:Get all data from this article
 
HIV-1 B HXB2-LAI-IIIB-BRU
Name:Envelope polyprotein GP160
Synonyms:Envelope polyprotein GP160 | Envelope surface glycoprotein gp160, precursor
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:
MRVKEKYQHLWRWGWRWGTMLLGMLMICSATEKLWVTVYYGVPVWKEATTTLFCASDAKA
YDTEVHNVWATHACVPTDPNPQEVVLVNVTENFNMWKNDMVEQMHEDIISLWDQSLKPCV
KLTPLCVSLKCTDLKNDTNTNSSSGRMIMEKGEIKNCSFNISTSIRGKVQKEYAFFYKLD
IIPIDNDTTSYKLTSCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGTGPCT
NVSTVQCTHGIRPVVSTQLLLNGSLAEEEVVIRSVNFTDNAKTIIVQLNTSVEINCTRPN
NNTRKRIRIQRGPGRAFVTIGKIGNMRQAHCNISRAKWNNTLKQIASKLREQFGNNKTII
FKQSSGGDPEIVTHSFNCGGEFFYCNSTQLFNSTWFNSTWSTEGSNNTEGSDTITLPCRI
KQIINMWQKVGKAMYAPPISGQIRCSSNITGLLLTRDGGNSNNESEIFRPGGGDMRDNWR
SELYKYKVVKIEPLGVAPTKAKRRVVQREKRAVGIGALFLGFLGAAGSTMGAASMTLTVQ
ARQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAVERYLKDQQLLGIWGCSG
KLICTTAVPWNASWSNKSLEQIWNHTTWMEWDREINNYTSLIHSLIEESQNQQEKNEQEL
LELDKWASLWNWFNITNWLWYIKLFIMIVGGLVGLRIVFAVLSIVNRVRQGYSPLSFQTH
LPTPRGPDRPEGIEEEGGERDRDRSIRLVNGSLALIWDDLRSLCLFSYHRLRDLLLIVTR
IVELLGRRGWEALKYWWNLLQYWSQELKNSAVSLLNATAIAVAEGTDRVIEVVQGACRAI
RHIPRRIRQGLERILL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM95255
n/a
NameBDBM95255
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
TypeSmall organic molecule
Emp. Form.C23H25N5OS
Mol. Mass.419.543
SMILESCC(C)c1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)N2CCCCC2)c1C#N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: