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Target
Reverse transcriptase/RNaseH
Ligand
BDBM50050533
Substrate
n/a
Meas. Tech.
ChEMBL_195512 (CHEMBL872992)
IC50
6±n/a nM
Citation
 Hopkins, AL; Ren, J; Esnouf, RM; Willcox, BE; Jones, EY; Ross, C; Miyasaka, T; Walker, RT; Tanaka, H; Stammers, DK; Stuart, DI Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors. J Med Chem 39:1589-600 (1996) [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:
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:
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