| Reaction Details |
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 | Report a problem with these data |
| Target | Gag-Pol polyprotein [489-892] |
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| Ligand | BDBM8125 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Drug Susceptibility Assay |
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| EC50 | 0.25±0.0 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 [489-892] |
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| Name: | Gag-Pol polyprotein [489-892] |
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| Synonyms: | HIV-1 isolate WT-control pol protein (CNDO control strain) | POL_HV1N5 | WT-control | gag-pol |
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| Type: | Protein |
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| Mol. Mass.: | 46038.17 |
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| Organism: | Human immunodeficiency virus |
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| Description: | P12497[489-892] |
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| Residue: | 404 |
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| Sequence: | PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPISPIETVPVKLKPGMDGPKV
KQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELN
KRTQDFWEVQLGIPHPAGLKQKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSINNETPG
IRYQYNVLPQGWKGSPAIFQCSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTK
IEELRQHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLV
GKLNWASQIYAGIKVRQLCKLLRGTKALTEVVPLTEEAELELAE
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| BDBM8125 |
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| n/a |
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| Name | BDBM8125 |
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| Synonyms: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CHEMBL1323 | Darunavir | Darunavir (DRV) | TMC-114 | UIC-94017 | US10806794, Compound Darunavir |
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| Type | Small organic molecule |
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| Emp. Form. | C27H37N3O7S |
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| Mol. Mass. | 547.664 |
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| SMILES | [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| |
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| Structure | 
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