Reaction Details Report a problem with these data
Target
Reverse transcriptase/RNaseH
Ligand
BDBM50066930
Substrate
n/a
Meas. Tech.
ChEMBL_195845 (CHEMBL799144)
IC50
50±n/a nM
Citation
 Nugent, RA; Schlachter, ST; Murphy, MJ; Cleek, GJ; Poel, TJ; Wishka, DG; Graber, DR; Yagi, Y; Keiser, BJ; Olmsted, RA; Kopta, LA; Swaney, SM; Poppe, SM; Morris, J; Tarpley, WG; Thomas, RC Pyrimidine thioethers: a novel class of HIV-1 reverse transcriptase inhibitors with activity against BHAP-resistant HIV. J Med Chem 41:3793-803 (1998) [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:
BDBM50066930
Synonyms:
6-Chloro-2-(3-methyl-benzylsulfanyl)-pyrimidin-4-ylamine | CHEMBL123779
Type:
Small organic molecule
Emp. Form.:
C12H12ClN3S
Mol. Mass.:
265.762
SMILES:
Cc1cccc(CSc2nc(N)cc(Cl)n2)c1
Structure:
Search PDB for entries with ligand similarity: