Reaction Details |
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Target | Envelope glycoprotein gp160 |
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Ligand | BDBM50333228 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_698262 (CHEMBL1646732) |
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Kd | 2600±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 |
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: | MRATEIRKNYQHLWKGGTLLLGMLMICSAAEQLWVTVYYGVPVWKEATTTLFCASDAKAY
DTEVHNVWATHACVPTDPNPQEVKLENVTENFNMWKNNMVEQMHEDIISLWDQSLKPCVK
LTPLCVTLNCTDLRNATNTTSSSWETMEKGEIKNCSFNITTSIRDKVQKEYALFYNLDVV
PIDNASYRLISCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNDKKFNGTGPCTNVST
VQCTHGIRPVVSTQLLLNGSLAEEEIVIRSENFTNNAKTIIVQLNESVVINCTRPNNNTR
KSINIGPGRALYTTGEIIGDIRQAHCNLSKTQWENTLEQIAIKLKEQFGNNKTIIFNPSS
GGDPEIVTHSFNCGGEFFYCNSTQLFTWNDTRKLNNTGRNITLPCRIKQIINMWQEVGKA
MYAPPIRGQIRCSSNITGLLLTRDGGKDTNGTEIFRPGGGDMRDNWRSELYKYKVVKIEP
LGVAPTKAKRRVVQREKRAVGLGALFLGFLGAAGSTMGAASITLTVQARQLLSGIVQQQN
NLLRAIEAQQHLLQLTVWGIKQLQARVLAVERYLRDQQLLGIWGCSGKLICTTTVPWNTS
WSNKSLNEIWDNMTWMKWEREIDNYTHIIYSLIEQSQNQQEKNEQELLALDKWASLWNWF
DITKWLWYIKIFIMIVGGLIGLRIVFVVLSIVNRVRQGYSPLSFQTHLPAQRGPDRPDGI
EEEGGERDRDRSGPLVDGFLAIIWVDLRSLCLFSYHRLRDLLLIVTRIVELLGRRGWGVL
KYWWNLLQYWIQELKNSAVSLLNATAIAVAEGTDRVIEILQRAFRAVLHIPVRIRQGLER
ALL
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BDBM50333228 |
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n/a |
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Name | BDBM50333228 |
Synonyms: | CHEMBL1645270 | N1-(((4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl)-N2-(4-chloro-3-fluorophenyl)oxalamide |
Type | Small organic molecule |
Emp. Form. | C15H19ClFN3O4 |
Mol. Mass. | 359.78 |
SMILES | CC1(C)O[C@@H](CN)[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)O1 |r| |
Structure |
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