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Target
Envelope glycoprotein gp160
Ligand
BDBM50333270
Substrate
n/a
Meas. Tech.
ChEMBL_698261 (CHEMBL1646731)
IC50
>100000±n/a nM
Citation
 Lalonde, JM; Elban, MA; Courter, JR; Sugawara, A; Soeta, T; Madani, N; Princiotto, AM; Kwon, YD; Kwong, PD; Schön, A; Freire, E; Sodroski, J; Smith, AB Design, synthesis and biological evaluation of small molecule inhibitors of CD4-gp120 binding based on virtual screening. Bioorg Med Chem 19:91-101 (2011) [PubMed]  Article 
Target
Name:
Envelope glycoprotein gp160
Synonyms:
ENV_HV1Y2 | Env polyprotein | Glycoprotein 120 | Glycoprotein 41 | SU | Surface protein gp120 | TM | Transmembrane protein gp41 | env | gp120 | gp41
Type:
PROTEIN
Mol. Mass.:
95667.71
Organism:
Human immunodeficiency virus type 1 group M subtype B (isolate YU-2)(HIV-1)
Description:
ChEMBL_698262
Residue:
843
Sequence:
MRATEIRKNYQHLWKGGTLLLGMLMICSAAEQLWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEVKLENVTENFNMWKNNMVEQMHEDIISLWDQSLKPCVKLTPLCVTLNCTDLRNATNTTSSSWETMEKGEIKNCSFNITTSIRDKVQKEYALFYNLDVVPIDNASYRLISCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNDKKFNGTGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEEIVIRSENFTNNAKTIIVQLNESVVINCTRPNNNTRKSINIGPGRALYTTGEIIGDIRQAHCNLSKTQWENTLEQIAIKLKEQFGNNKTIIFNPSSGGDPEIVTHSFNCGGEFFYCNSTQLFTWNDTRKLNNTGRNITLPCRIKQIINMWQEVGKAMYAPPIRGQIRCSSNITGLLLTRDGGKDTNGTEIFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKAKRRVVQREKRAVGLGALFLGFLGAAGSTMGAASITLTVQARQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARVLAVERYLRDQQLLGIWGCSGKLICTTTVPWNTSWSNKSLNEIWDNMTWMKWEREIDNYTHIIYSLIEQSQNQQEKNEQELLALDKWASLWNWFDITKWLWYIKIFIMIVGGLIGLRIVFVVLSIVNRVRQGYSPLSFQTHLPAQRGPDRPDGIEEEGGERDRDRSGPLVDGFLAIIWVDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWGVLKYWWNLLQYWIQELKNSAVSLLNATAIAVAEGTDRVIEILQRAFRAVLHIPVRIRQGLERALL
  
Inhibitor
Name:
BDBM50333270
Synonyms:
4-(3-((4-(4,4-dimethylpent-1-en-2-yl)cyclohexyl)methyl)-2-methylenebut-3-enyl)-1,2-dimethylbenzene | CHEMBL1645122
Type:
Small organic molecule
Emp. Form.:
C18H23ClFN3O4
Mol. Mass.:
399.844
SMILES:
CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1
Structure:
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