| Reaction Details |
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 | Report a problem with these data |
| Target | Envelope glycoprotein gp160 |
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| Ligand | BDBM50572318 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2116695 (CHEMBL4825636) |
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| IC50 | 2050±n/a nM |
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| Citation |  Fritschi, CJ; Liang, S; Mohammadi, M; Anang, S; Moraca, F; Chen, J; Madani, N; Sodroski, JG; Abrams, CF; Hendrickson, WA; Smith, AB Identification of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics. ACS Med Chem Lett12:1824-1831 (2021) [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: | envelope glycoprotein |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 91798.58 |
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| Organism: | Human immunodeficiency virus 1 |
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| Description: | gi_45357394 |
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| Residue: | 814 |
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| Sequence: | MRVKGIRRNYQHLWRWGTMLLGMLMICSAKEQLWVTAYYGVPVWKEATTTLFCASDAKAY
DTEVHNVWATHACVPTDPNPREVVMGNVTEEFNIWNNSMVEQMHEDIISLWDESLKPCVK
LTPLCVTFNCTNYNGTRNGTTTEPPEVKNCTTKETGIKNCSFNIATSGVEDRFKKEYALL
YTADIVQIDNSSINYTLIGCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGK
GPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEVVIRSDNFSDNAKTIIVQLKDPVVINCT
RPNNNTRKGIRIGPGRTFYTTERIIGDIRQAHCNISRTQWNNTLRLIAAKLKKQFNNKTI
IFRNSSGGDPEIVMHSFNCGGEFFYCNTTQLFNSTWVHNNTWVHNNTGNDTEEGTITLPC
RIKQIINMWQEVGKAMYAPPIKGQIRCSSNITGLILTRDGGNTSSNNETFRPGGGDMRDN
WRSELYKYKVVKIEPLGVAPTKARRRVVQREKRAVGMLGAMFLGFLGAAGSTMGAASLAL
TVQARQVVSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARVLAVERYLGDQQLLGIWG
CSGKLICTTAVPWNDSWSNKSLKYIWDNMTWMQWEKEIDIHVDTIYQLLEASQYQQEKNE
KDLLELDKWESLWNWFDITNWLWYIKIFIMIVGGLIGLRIVFTVLSIVNRVRQGYSPLSL
QTRLPTQRGPDRPEGIEEEGGERQRHIRSISEWILNNYPGRPAEPVPLQLPPLERLTLDC
NEDCGTSGTQGVGSPQVFVESPPVLESGTKEECC
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| BDBM50572318 |
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| n/a |
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| Name | BDBM50572318 |
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| Synonyms: | CHEMBL4856617 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H32ClF7N6O7 |
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| Mol. Mass. | 733.032 |
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| SMILES | OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CNCc1ccc2[C@@H](CCCO)[C@H](CNC(N)=N)[C@@H](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)c2c1 |r| |
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| Structure | 
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