| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [484-582,I494L,I497V,V499I,E519D,I534V,R541K,D544E,Q553K,A555V,L573M] |
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| Ligand | BDBM104107 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibition Assay |
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| Ki | 0.144±0.115 nM |
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| Citation |  Shen, Y; Altman, MD; Ali, A; Nalam, MN; Cao, H; Rana, TM; Schiffer, CA; Tidor, B Testing the substrate-envelope hypothesis with designed pairs of compounds. ACS Chem Biol8:2433-41 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Gag-Pol polyprotein [484-582,I494L,I497V,V499I,E519D,I534V,R541K,D544E,Q553K,A555V,L573M] |
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| Name: | Gag-Pol polyprotein [484-582,I494L,I497V,V499I,E519D,I534V,R541K,D544E,Q553K,A555V,L573M] |
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| Synonyms: | HIV-1 protease M4 | HIV-1 protease drug-resistant mutant 4 | POL_HV196 | gag-pol |
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| Type: | Protein |
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| Mol. Mass.: | 10771.71 |
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| Organism: | Human immunodeficiency virus |
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| Description: | Q9QBY3[484-582,I494L,I497V,V499I,E519D,I534V,R541K,D544E,Q553K,A555V,L573M] |
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| Residue: | 99 |
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| Sequence: | PQITLWQRPLVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIGGVGGFIKVKQYE
QVLIEICGKKVIGTVLVGPTPVNIIGRNMLTQIGCTLNF
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| BDBM104107 |
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| n/a |
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| Name | BDBM104107 |
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| Synonyms: | (2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino]-1-(phenylmethyl)propyl]-3-methyl-pentanamide (AF-68) |
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| Type | Small organic molecule |
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| Emp. Form. | C29H43N3O6S |
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| Mol. Mass. | 561.733 |
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| SMILES | CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| |
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| Structure | 
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