Reaction Details |
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Target | Gag-Pol polyprotein [484-582,I494L,I497V,V499I,D514N,E519D,R541K,D544E,Q553K,N572D,L573M] |
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Ligand | BDBM104103 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Inhibition Assay |
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Ki | 0.383±0.097 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,D514N,E519D,R541K,D544E,Q553K,N572D,L573M] |
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Name: | Gag-Pol polyprotein [484-582,I494L,I497V,V499I,D514N,E519D,R541K,D544E,Q553K,N572D,L573M] |
Synonyms: | HIV-1 protease M2 | HIV-1 protease drug-resistant mutant 2 | POL_HV196 | gag-pol |
Type: | Protein |
Mol. Mass.: | 10757.68 |
Organism: | Human immunodeficiency virus |
Description: | Q9QBY3[484-582,I494L,I497V,V499I,D514N,E519D,R541K,D544E,Q553K,N572D,L573M] |
Residue: | 99 |
Sequence: | PQITLWQRPLVTVKIGGQLREALLDTGADNTVLEDINLPGKWKPKMIGGIGGFIKVKQYE
QVLIEICGKKAIGTVLVGPTPVNIIGRDMLTQIGCTLNF
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BDBM104103 |
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n/a |
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Name | BDBM104103 |
Synonyms: | N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(cyclohexylmethyl)amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-72) |
Type | Small organic molecule |
Emp. Form. | C31H35N3O5S2 |
Mol. Mass. | 593.757 |
SMILES | O[C@H](CN(CC1CCCCC1)S(=O)(=O)c1ccc2ncsc2c1)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1 |r| |
Structure |
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