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Target
Reverse transcriptase
Ligand
BDBM50050533
Substrate
n/a
Meas. Tech.
ChEMBL_946838 (CHEMBL2345503)
IC50
88±n/a nM
Citation
 Li, A; Ouyang, Y; Wang, Z; Cao, Y; Liu, X; Ran, L; Li, C; Li, L; Zhang, L; Qiao, K; Xu, W; Huang, Y; Zhang, Z; Tian, C; Liu, Z; Jiang, S; Shao, Y; Du, Y; Ma, L; Wang, X; Liu, J Novel pyridinone derivatives as non-nucleoside reverse transcriptase inhibitors (NNRTIs) with high potency against NNRTI-resistant HIV-1 strains. J Med Chem 56:3593-608 (2013) [PubMed]  Article 
Target
Name:
Reverse transcriptase
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
29598.37
Organism:
Human immunodeficiency virus type 1
Description:
Q9WKE8
Residue:
254
Sequence:
PISPITVPVKLKPGMDGPKVKQWPLTEEKIKALTEICTEMEKEGKIEKIGPENPYNTPVFAIKKKDSTKWRKVVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIEQHRAKIEELRQHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVN
  
Inhibitor
Name:
BDBM50050533
Synonyms:
6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | 6-Benzyl-1-benzyloxymethyl-5-isopropyl-1H-pyrimidine-2,4-dione | 6-benzyl-1-(benzyloxymethyl)-5-isopropyluracil | CHEMBL436546 | TNK-651
Type:
Small organic molecule
Emp. Form.:
C22H24N2O3
Mol. Mass.:
364.4376
SMILES:
CC(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
Structure:
Search PDB for entries with ligand similarity: