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Target
Reverse transcriptase
Ligand
BDBM50339536
Substrate
n/a
Meas. Tech.
ChEMBL_756689 (CHEMBL1805154)
Ki
140±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
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
29598.37
Organism:
Human immunodeficiency virus 1
Description:
Q9WKE8
Residue:
254
Sequence:
PISPITVPVKLKPGMDGPKVKQWPLTEEKIKALTEICTEMEKEGKIEKIGPENPYNTPVFAIKKKDSTKWRKVVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIEQHRAKIEELRQHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVN
  
Inhibitor
Name:
BDBM50339536
Synonyms:
(+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)methyl]-phenyl]-6,7-dihydrobenzo[b]pyrrolo[1,2-d][1,4]oxazepin-7-one | CHEMBL1688575
Type:
Small organic molecule
Emp. Form.:
C27H21ClFNO2S
Mol. Mass.:
477.978
SMILES:
CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(F)cc2Cl)cc1
Structure:
Search PDB for entries with ligand similarity: