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TargetHIV-1 isolate WT-control pol protein (CNDO control strain)
LigandBDBM8125
Substrate/Competitorn/a
Meas. Tech.Drug Susceptibility Assay
EC50 0.25±0.0 nM
Citation Shen, YAltman, MDAli, ANalam, MNCao, HRana, TMSchiffer, CATidor, B Testing the substrate-envelope hypothesis with designed pairs of compounds. ACS Chem Biol8:2433-41 (2013) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
HIV-1 isolate WT-control pol protein (CNDO control strain)
Name:HIV-1 isolate WT-control pol protein (CNDO control strain)
Synonyms:WT-control
Type:Protein
Mol. Mass.:46038.17
Organism:Human immunodeficiency virus
Description:P12497[489-892]
Residue:404
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPISPIETVPVKLKPGMDGPKV
KQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELN
KRTQDFWEVQLGIPHPAGLKQKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSINNETPG
IRYQYNVLPQGWKGSPAIFQCSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTK
IEELRQHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLV
GKLNWASQIYAGIKVRQLCKLLRGTKALTEVVPLTEEAELELAE
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM8125
NameBDBM8125
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
TypeSmall 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
n/a