Reaction Details |
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Target | Envelope glycoprotein gp160 |
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Ligand | BDBM50572314 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2116695 (CHEMBL4825636) |
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IC50 | 3320±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 |
Synonyms: | envelope glycoprotein |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 91798.58 |
Organism: | Human immunodeficiency virus 1 |
Description: | gi_45357394 |
Residue: | 814 |
Sequence: | MRVKGIRRNYQHLWRWGTMLLGMLMICSAKEQLWVTAYYGVPVWKEATTTLFCASDAKAY
DTEVHNVWATHACVPTDPNPREVVMGNVTEEFNIWNNSMVEQMHEDIISLWDESLKPCVK
LTPLCVTFNCTNYNGTRNGTTTEPPEVKNCTTKETGIKNCSFNIATSGVEDRFKKEYALL
YTADIVQIDNSSINYTLIGCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGK
GPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEVVIRSDNFSDNAKTIIVQLKDPVVINCT
RPNNNTRKGIRIGPGRTFYTTERIIGDIRQAHCNISRTQWNNTLRLIAAKLKKQFNNKTI
IFRNSSGGDPEIVMHSFNCGGEFFYCNTTQLFNSTWVHNNTWVHNNTGNDTEEGTITLPC
RIKQIINMWQEVGKAMYAPPIKGQIRCSSNITGLILTRDGGNTSSNNETFRPGGGDMRDN
WRSELYKYKVVKIEPLGVAPTKARRRVVQREKRAVGMLGAMFLGFLGAAGSTMGAASLAL
TVQARQVVSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARVLAVERYLGDQQLLGIWG
CSGKLICTTAVPWNDSWSNKSLKYIWDNMTWMQWEKEIDIHVDTIYQLLEASQYQQEKNE
KDLLELDKWESLWNWFDITNWLWYIKIFIMIVGGLIGLRIVFTVLSIVNRVRQGYSPLSL
QTRLPTQRGPDRPEGIEEEGGERQRHIRSISEWILNNYPGRPAEPVPLQLPPLERLTLDC
NEDCGTSGTQGVGSPQVFVESPPVLESGTKEECC
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BDBM50572314 |
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n/a |
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Name | BDBM50572314 |
Synonyms: | CHEMBL4862201 |
Type | Small organic molecule |
Emp. Form. | C29H34ClF7N6O8 |
Mol. Mass. | 763.057 |
SMILES | OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CNCc1ccc2[C@H](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)[C@@H](CNC(N)=N)[C@H](CCC(O)CO)c2c1 |r| |
Structure |
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