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Target
Reverse transcriptase protein
Ligand
BDBM50339512
Substrate
n/a
Meas. Tech.
ChEMBL_756692 (CHEMBL1805157)
Ki
700±n/a nM
Citation
 Butini, S; Gemma, S; Brindisi, M; Borrelli, G; Fiorini, I; Samuele, A; Karytinos, A; Facchini, M; Lossani, A; Zanoli, S; Campiani, G; Novellino, E; Focher, F; Maga, G Enantioselective binding of second generation pyrrolobenzoxazepinones to the catalytic ternary complex of HIV-1 RT wild-type and L100I and K103N drug resistant mutants. Bioorg Med Chem Lett 21:3935-8 (2011) [PubMed]  Article 
Target
Name:
Reverse transcriptase protein
Synonyms:
Reverse Transcriptase | Reverse Transcriptase (A62V) | Reverse Transcriptase (F61A)
Type:
Protein
Mol. Mass.:
30203.56
Organism:
Human immunodeficiency virus 1
Description:
Q9WJQ2
Residue:
259
Sequence:
PISPIEPVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTRWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKRSVTVLDVGDAYFSVPLDKEFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLKWGFTTPDKKHQKEPPFLWMGYEHHPDKWTVQPIVLPEKDSWTVNDIQK
  
Inhibitor
Name:
BDBM50339512
Synonyms:
(+/-)-6-Ethyl-6-[4-[(phenylthio)methyl]phenyl]-6,7-dihydrobenzo[b]pyrrolo[1,2-d][1,4]oxazepin-7-one | CHEMBL1688496
Type:
Small organic molecule
Emp. Form.:
C27H23NO2S
Mol. Mass.:
425.542
SMILES:
CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccccc2)cc1
Structure:
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