| Reaction Details |
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 | Report a problem with these data |
| Target | Envelope glycoprotein gp160 |
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| Ligand | BDBM50333235 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_698262 (CHEMBL1646732) |
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| Kd | 2400±n/a nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| Envelope glycoprotein gp160 |
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| Name: | Envelope glycoprotein gp160 |
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| Synonyms: | ENV_HV1Y2 | Env polyprotein | Glycoprotein 120 | Glycoprotein 41 | SU | Surface protein gp120 | TM | Transmembrane protein gp41 | env | gp120 | gp41 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 95667.71 |
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| Organism: | Human immunodeficiency virus type 1 group M subtype B (isolate YU-2)(HIV-1) |
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| Description: | ChEMBL_698262 |
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| Residue: | 843 |
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| Sequence: | MRATEIRKNYQHLWKGGTLLLGMLMICSAAEQLWVTVYYGVPVWKEATTTLFCASDAKAY
DTEVHNVWATHACVPTDPNPQEVKLENVTENFNMWKNNMVEQMHEDIISLWDQSLKPCVK
LTPLCVTLNCTDLRNATNTTSSSWETMEKGEIKNCSFNITTSIRDKVQKEYALFYNLDVV
PIDNASYRLISCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNDKKFNGTGPCTNVST
VQCTHGIRPVVSTQLLLNGSLAEEEIVIRSENFTNNAKTIIVQLNESVVINCTRPNNNTR
KSINIGPGRALYTTGEIIGDIRQAHCNLSKTQWENTLEQIAIKLKEQFGNNKTIIFNPSS
GGDPEIVTHSFNCGGEFFYCNSTQLFTWNDTRKLNNTGRNITLPCRIKQIINMWQEVGKA
MYAPPIRGQIRCSSNITGLLLTRDGGKDTNGTEIFRPGGGDMRDNWRSELYKYKVVKIEP
LGVAPTKAKRRVVQREKRAVGLGALFLGFLGAAGSTMGAASITLTVQARQLLSGIVQQQN
NLLRAIEAQQHLLQLTVWGIKQLQARVLAVERYLRDQQLLGIWGCSGKLICTTTVPWNTS
WSNKSLNEIWDNMTWMKWEREIDNYTHIIYSLIEQSQNQQEKNEQELLALDKWASLWNWF
DITKWLWYIKIFIMIVGGLIGLRIVFVVLSIVNRVRQGYSPLSFQTHLPAQRGPDRPDGI
EEEGGERDRDRSGPLVDGFLAIIWVDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWGVL
KYWWNLLQYWIQELKNSAVSLLNATAIAVAEGTDRVIEILQRAFRAVLHIPVRIRQGLER
ALL
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| BDBM50333235 |
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| n/a |
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| Name | BDBM50333235 |
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| Synonyms: | CHEMBL1645263 | N1-(4-chloro-3-fluorophenyl)-N2-(1-cyclohexylpyrrolidin-3-yl)oxalamide |
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| Type | Small organic molecule |
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| Emp. Form. | C18H23ClFN3O2 |
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| Mol. Mass. | 367.846 |
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| SMILES | Fc1cc(NC(=O)C(=O)NC2CCN(C2)C2CCCCC2)ccc1Cl |
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| Structure | 
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