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Target
Reverse transcriptase/RNaseH
Ligand
BDBM50004152
Substrate
n/a
Meas. Tech.
ChEMBL_101642 (CHEMBL710298)
IC50
5060±n/a nM
Citation
 He, Y; Chen, F; Sun, G; Wang, Y; De Clercq, E; Balzarini, J; Pannecouque, C 5-Alkyl-2-[(aryl and alkyloxylcarbonylmethyl)thio]-6-(1-naphthylmethyl) pyrimidin-4(3H)-ones as an unique HIV reverse transcriptase inhibitors of S-DABO series. Bioorg Med Chem Lett 14:3173-6 (2004) [PubMed]  Article 
Target
Name:
Reverse transcriptase/RNaseH
Synonyms:
HIV-1 Reverse Transcriptase RNase H | Human immunodeficiency virus type 1 reverse transcriptase | Reverse transcriptase/RNaseH
Type:
PROTEIN
Mol. Mass.:
65229.15
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_1473730
Residue:
566
Sequence:
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKRKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIRVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLRTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKVLFLDGID
  
Inhibitor
Name:
BDBM50004152
Synonyms:
(HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione | 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(phenylthio)pyrimidine-2,4(1H,3H)-dione | 1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE | 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione | 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione(HEPT) | 1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine | 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)-thymine | CHEMBL31871
Type:
Small organic molecule
Emp. Form.:
C14H16N2O4S
Mol. Mass.:
308.353
SMILES:
Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Structure:
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