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Target
Reverse transcriptase
Ligand
BDBM10908
Substrate
n/a
Meas. Tech.
ChEMBL_532747 (CHEMBL972321)
IC50
8.0±n/a nM
Citation
 Carlsson, J; Boukharta, L; Aqvist, J Combining docking, molecular dynamics and the linear interaction energy method to predict binding modes and affinities for non-nucleoside inhibitors to HIV-1 reverse transcriptase. J Med Chem 51:2648-56 (2008) [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:
BDBM10908
Synonyms:
3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1,2-dihydropyridin-2-one | 3-Dimethylamino-4-(3,5-dimethylbenzyl)-5-ethyl-6-methylpyridin-2(1H)-one | 4-benzyl pyridinone derivative 27
Type:
Small organic molecule
Emp. Form.:
C19H26N2O
Mol. Mass.:
298.4225
SMILES:
CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cc(C)cc(C)c1
Structure:
Search PDB for entries with ligand similarity: