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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Envelope glycoprotein gp160 | ||
| Ligand | BDBM50333262 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_698262 (CHEMBL1646732) | ||
| Kd | 1300±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 Chem19:91-101 (2011) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Envelope glycoprotein gp160 | |||
| 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: |
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| BDBM50333262 | |||
| n/a | |||
| Name | BDBM50333262 | ||
| Synonyms: | 4-(2-(4-chloro-3-fluorophenylamino)-2-oxoacetamido)-1,2,2,6,6-pentamethylpiperidine 1-oxide | CHEMBL1645130 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H25ClFN3O3 | ||
| Mol. Mass. | 385.861 | ||
| SMILES | CC1(C)CC(CC(C)(C)[N+]1(C)[O-])NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 |(20.21,-44.3,;18.73,-44.71,;19.49,-46.04,;17.41,-45.48,;16.08,-44.71,;16.06,-43.17,;17.4,-42.4,;16.62,-41.06,;18.16,-41.06,;18.74,-43.17,;19.49,-41.83,;20.27,-43.17,;14.75,-45.49,;13.41,-44.72,;13.4,-43.18,;12.08,-45.5,;12.09,-47.04,;10.74,-44.73,;9.41,-45.51,;8.08,-44.74,;6.75,-45.52,;6.75,-47.06,;5.41,-47.83,;8.08,-47.83,;8.08,-49.37,;9.42,-47.06,)| | ||
| Structure | 
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