| Reaction Details |
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 | Report a problem with these data |
| Target | HIV-1 protease |
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| Ligand | BDBM578 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibition Assay |
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| Ki | 0.005±0.0 nM |
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| Citation |  Chellappan, S; Kiran Kumar Reddy, GS; Ali, A; Nalam, MN; Anjum, SG; Cao, H; Kairys, V; Fernandes, MX; Altman, MD; Tidor, B; Rana, TM; Schiffer, CA; Gilson, MK Design of mutation-resistant HIV protease inhibitors with the substrate envelope hypothesis. Chem Biol Drug Des69:298-313 (2007) [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: | n/a |
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| Type: | Protein |
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| Mol. Mass.: | 10653.94 |
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| Organism: | Human immunodeficiency virus |
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| Description: | O90783 |
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| Residue: | 98 |
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| Sequence: | PQVTLWQRPLVTIRVGGQLKEALLDTGADDTVLEDMNLPGRWKPKMIGGIGGFIKVRQYD
QITVEICGHKAIGTVLVGPTPVNIIGRNLLTIGCTLNF
|
|
|
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| BDBM578 |
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| n/a |
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| Name | BDBM578 |
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| Synonyms: | (2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide | ABT-378 | Aluviran | CHEMBL729 | LPV | Lopinavir |
|---|
| Type | Small organic molecule |
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| Emp. Form. | C37H48N4O5 |
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| Mol. Mass. | 628.8008 |
|---|
| SMILES | CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 |r| |
|---|
| Structure | 
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