Reaction Details |
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Target | Gag-Pol polyprotein [484-582,I497V,V499I,E519D,R541K,D544E,Q553K,A555V,G557S,I568V,L574M,L573M] |
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Ligand | BDBM104105 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Inhibition Assay |
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Ki | 44.82±22.42 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,I497V,V499I,E519D,R541K,D544E,Q553K,A555V,G557S,I568V,L574M,L573M] |
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Name: | Gag-Pol polyprotein [484-582,I497V,V499I,E519D,R541K,D544E,Q553K,A555V,G557S,I568V,L574M,L573M] |
Synonyms: | HIV-1 protease M3 | HIV-1 protease drug-resistant mutant 3 | POL_HV196 | gag-pol |
Type: | Protein |
Mol. Mass.: | 10819.77 |
Organism: | Human immunodeficiency virus |
Description: | Q9QBY3[484-582,I497V,V499I,E519D,R541K,D544E,Q553K,A555V,G557S,I568V,L574M,L573M] |
Residue: | 99 |
Sequence: | PQITLWQRPIVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVKQYE
QVLIEICGKKVISTVLVGPTPVNVIGRNMMTQIGCTLNF
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BDBM104105 |
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n/a |
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Name | BDBM104105 |
Synonyms: | 3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[[5-(5-isoxazolyl)-2-thienyl]sulfonyl][(2S)-2- methylbutyl]amino]-1-(phenylmethyl)propyl]-benzamide (AF-71) |
Type | Small organic molecule |
Emp. Form. | C29H33N3O6S2 |
Mol. Mass. | 583.719 |
SMILES | CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)S(=O)(=O)c1ccc(s1)-c1ccno1 |r| |
Structure |
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