Reaction Details |
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Target | Gag-Pol polyprotein [484-582,I494L,I497V,V499I,E519D,I534V,R541K,D544E,Q553K,A555V,L573M] |
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Ligand | BDBM104108 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Inhibition Assay |
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Ki | 3.404±0.593 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] |
Synonyms: | HIV-1 protease M4 | HIV-1 protease drug-resistant mutant 4 | POL_HV196 | gag-pol |
Type: | Protein |
Mol. Mass.: | 10771.71 |
Organism: | Human immunodeficiency virus |
Description: | Q9QBY3[484-582,I494L,I497V,V499I,E519D,I534V,R541K,D544E,Q553K,A555V,L573M] |
Residue: | 99 |
Sequence: | PQITLWQRPLVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIGGVGGFIKVKQYE
QVLIEICGKKVIGTVLVGPTPVNIIGRNMLTQIGCTLNF
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BDBM104108 |
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n/a |
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Name | BDBM104108 |
Synonyms: | N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-77) |
Type | Small organic molecule |
Emp. Form. | C31H38N2O6S |
Mol. Mass. | 566.708 |
SMILES | COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)CC1CCCCC1 |r| |
Structure |
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