| Reaction Details |
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 | Report a problem with these data |
| Target | MDRC4 |
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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 | 0.6±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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| MDRC4 |
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| Name: | MDRC4 |
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| Synonyms: | Multi-drug-resistant control strain R268 | POL_HV1N5 | gag-pol |
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| Type: | Protein |
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| Mol. Mass.: | 45906.94 |
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| Organism: | Human immunodeficiency virus |
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| Description: | P12497[489-892,L499I,G505E,R530K,M535I,I543V,L552T,T563S,V571A,I582L,V623I,A650V,S656G,V663I,F665L,R671K,K689E,Q690K,Y703F,F704Y,D711E,Q739M,C750S,D765E,I766L,K761R,G784E,R799G,F802L,V833E,A860P,R865K,K869R,V880I] |
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| Residue: | 403 |
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| Sequence: | PQITLWQRPIVTIKIEGQLKEALLDTGADDTVLEEMNLPGKWKPKIIGGIGGFVKVRQYD
QITIEICGHKAIGSVLVGPTPANIIGRNLLTQLGCTLNFPISPIETVPVKLKPGMDGPKV
KQWPLTEEKIKALIEICTEMEKEGKISKIGPENPYNTPVFVIKKKDGKWRKLIDLRELNK
KTQDFWEVQLGIPHPAGLEKKKSVTVLDVGDAFYSVPLDKEFRKYTAFTIPSINNETPGI
RYQYNVLPMGWKGSPAIFQSSMTKILEPFRRQNPELVIYQYMDDLYVGSDLEIEQHRTKI
EELRQHLLGWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIELPEKDSWTVNDIQKLVG
KLNWASQIYPGIKVKQLCRLLRGTKALTEIVPLTEEAELELAE
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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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