| Reaction Details |
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 | Report a problem with these data |
| Target | Envelope glycoprotein gp160 |
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| Ligand | BDBM95255 |
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| Substrate/Competitor | n/a |
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| IC50 | 3442±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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| BDBM95255 |
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| n/a |
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| Name | BDBM95255 |
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| Synonyms: | 2-amino-4-(4-isopropylphenyl)-6-{[2-oxo-2-(1-piperidinyl)ethyl]thio}-3,5-pyridinedicarbonitrile | 2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile | 2-amino-6-[(2-keto-2-piperidino-ethyl)thio]-4-p-cumenyl-dinicotinonitrile | 2-amino-6-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile | 2-azanyl-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile | MLS000535596 | SMR000143032 | cid_2197541 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H25N5OS |
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| Mol. Mass. | 419.543 |
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| SMILES | CC(C)c1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)N2CCCCC2)c1C#N |
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| Structure | 
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