| Reaction Details |
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 | Report a problem with these data |
| Target | Envelope glycoprotein gp160 |
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| Ligand | BDBM95289 |
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| Substrate/Competitor | n/a |
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| IC50 | 5146±n/a nM |
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| Citation |  PubChem, PC Counterscreen for discovery of small molecules that bind to the HIV-1-gp120 binding antibody, PG9 PubChem Bioassay(2012)[AID] |
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| More Info.: | Get all data from this article |
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| Envelope glycoprotein gp160 |
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| Name: | Envelope glycoprotein gp160 |
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| Synonyms: | ENV_HV1H2 | Envelope polyprotein GP160 | Envelope surface glycoprotein gp160, precursor | HIV-1 B HXB2-LAI-IIIB-BRU | env |
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| Type: | n/a |
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| Mol. Mass.: | 97241.93 |
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| Organism: | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) |
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| Description: | n/a |
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| Residue: | 856 |
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| Sequence: | MRVKEKYQHLWRWGWRWGTMLLGMLMICSATEKLWVTVYYGVPVWKEATTTLFCASDAKA
YDTEVHNVWATHACVPTDPNPQEVVLVNVTENFNMWKNDMVEQMHEDIISLWDQSLKPCV
KLTPLCVSLKCTDLKNDTNTNSSSGRMIMEKGEIKNCSFNISTSIRGKVQKEYAFFYKLD
IIPIDNDTTSYKLTSCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNNKTFNGTGPCT
NVSTVQCTHGIRPVVSTQLLLNGSLAEEEVVIRSVNFTDNAKTIIVQLNTSVEINCTRPN
NNTRKRIRIQRGPGRAFVTIGKIGNMRQAHCNISRAKWNNTLKQIASKLREQFGNNKTII
FKQSSGGDPEIVTHSFNCGGEFFYCNSTQLFNSTWFNSTWSTEGSNNTEGSDTITLPCRI
KQIINMWQKVGKAMYAPPISGQIRCSSNITGLLLTRDGGNSNNESEIFRPGGGDMRDNWR
SELYKYKVVKIEPLGVAPTKAKRRVVQREKRAVGIGALFLGFLGAAGSTMGAASMTLTVQ
ARQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAVERYLKDQQLLGIWGCSG
KLICTTAVPWNASWSNKSLEQIWNHTTWMEWDREINNYTSLIHSLIEESQNQQEKNEQEL
LELDKWASLWNWFNITNWLWYIKLFIMIVGGLVGLRIVFAVLSIVNRVRQGYSPLSFQTH
LPTPRGPDRPEGIEEEGGERDRDRSIRLVNGSLALIWDDLRSLCLFSYHRLRDLLLIVTR
IVELLGRRGWEALKYWWNLLQYWSQELKNSAVSLLNATAIAVAEGTDRVIEVVQGACRAI
RHIPRRIRQGLERILL
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| BDBM95289 |
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| n/a |
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| Name | BDBM95289 |
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| Synonyms: | 3-benzyl-8-(5-bromo-2-methoxy-phenyl)-7-methyl-xanthine | 3-benzyl-8-(5-bromo-2-methoxyphenyl)-7-methylpurine-2,6-dione | 8-(5-bromanyl-2-methoxy-phenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione | 8-(5-bromo-2-methoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione | MLS001175296 | SMR000596470 | cid_4792884 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H17BrN4O3 |
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| Mol. Mass. | 441.278 |
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| SMILES | COc1ccc(Br)cc1-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1C |
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| Structure | 
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