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Target
Reverse transcriptase
Ligand
BDBM50482849
Substrate
n/a
Meas. Tech.
ChEMBL_665359 (CHEMBL1261036)
IC50
29±n/a nM
Citation
 Tang, G; Kertesz, DJ; Yang, M; Lin, X; Wang, Z; Li, W; Qiu, Z; Chen, J; Mei, J; Chen, L; Mirzadegan, T; Harris, SF; Villaseņor, AG; Fretland, J; Fitch, WL; Hang, JQ; Heilek, G; Klumpp, K Exploration of piperidine-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-Phenyl derivatives with broad potency against resistant mutant viruses. Bioorg Med Chem Lett 20:6020-3 (2010) [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:
BDBM50482849
Synonyms:
CHEMBL1258364
Type:
Small organic molecule
Emp. Form.:
C24H22BrFN6O2
Mol. Mass.:
525.373
SMILES:
Cc1cc(cc(F)c1Oc1nc(NC2CCN(CC2)c2cccc(c2)C(N)=O)ncc1Br)C#N
Structure:
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