Reaction Details |
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Target | HIV-1 protease |
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Ligand | BDBM104102 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Inhibition Assay |
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Ki | 0.021±0.009 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 |
Synonyms: | HIV-1 protease wild type |
Type: | Protein |
Mol. Mass.: | 10757.68 |
Organism: | Human immunodeficiency virus |
Description: | O90785 |
Residue: | 99 |
Sequence: | PQITLWQRPLVTVKIGGQLREALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVKQYE
QVLIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNF
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BDBM104102 |
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n/a |
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Name | BDBM104102 |
Synonyms: | (2S,3S)-2-(Acetylamino)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)[(2S)-2- methylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-methyl-pentanamide (AG-23) |
Type | Small organic molecule |
Emp. Form. | C30H42N4O5S2 |
Mol. Mass. | 602.808 |
SMILES | CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(C)=O)[C@@H](C)CC)S(=O)(=O)c1ccc2ncsc2c1 |r| |
Structure |
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