Reaction Details Report a problem with these data
Target
Reverse transcriptase/RNaseH
Ligand
BDBM50404254
Substrate
n/a
Meas. Tech.
ChEMBL_101642 (CHEMBL710298)
IC50
30±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:
BDBM50404254
Synonyms:
CHEMBL108396
Type:
Small organic molecule
Emp. Form.:
C27H26N2O3S
Mol. Mass.:
458.572
SMILES:
COc1ccc(cc1)C(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1
Structure:
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