Reaction Details |
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Target | Gag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q] |
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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 | 0.15±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,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q] |
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Name: | Gag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q] |
Synonyms: | HIV WT-B pol protein (wild-type clade B) | POL_HV1N5 | WT-B | gag-pol |
Type: | Protein |
Mol. Mass.: | 46017.68 |
Organism: | Human immunodeficiency virus |
Description: | P12497[489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q] |
Residue: | 404 |
Sequence: | PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMHLPGKWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLIGPTPVNIIGRNLLTQLGCTLNFPISPIETVPVKLKPGMDGPKV
KQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPIFAIKKKDSTKWRKLVDFRELN
KRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSVNNETPG
IRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRAK
IEELREHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLV
GKLNWASQIYAGIKVRQLCKLLRGAKALTEVIQLTEEAELELAE
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BDBM8125 |
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n/a |
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Name | BDBM8125 |
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 |
Type | Small organic molecule |
Emp. Form. | C27H37N3O7S |
Mol. Mass. | 547.664 |
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| |
Structure |
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