| Reaction Details |
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 | Report a problem with these data |
| Target | HIV-1 protease |
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| Ligand | BDBM104104 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibition Assay |
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| Ki | 0.070±0.005 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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| HIV-1 protease |
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| Name: | HIV-1 protease |
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| Synonyms: | HIV-1 protease wild type |
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| Type: | Protein |
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| Mol. Mass.: | 10757.68 |
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| Organism: | Human immunodeficiency virus |
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| Description: | O90785 |
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| Residue: | 99 |
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| Sequence: | PQITLWQRPLVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVKQYE
QVLIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNF
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| BDBM104104 |
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| n/a |
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| Name | BDBM104104 |
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| Synonyms: | N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylpropyl)amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-69) |
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| Type | Small organic molecule |
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| Emp. Form. | C33H33N3O5S2 |
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| Mol. Mass. | 615.762 |
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| SMILES | O[C@H](CN(CCCc1ccccc1)S(=O)(=O)c1ccc2ncsc2c1)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1 |r| |
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| Structure | 
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