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Target
Reverse transcriptase/RNaseH
Ligand
BDBM50105629
Substrate
n/a
Meas. Tech.
ChEMBL_195380 (CHEMBL802417)
IC50
20.8±n/a nM
Citation
 Rodríguez-Barrios, F; Pérez, C; Lobatón, E; Velázquez, S; Chamorro, C; San-Félix, A; Pérez-Pérez, MJ; Camarasa, MJ; Pelemans, H; Balzarini, J; Gago, F Identification of a putative binding site for [2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)thymine (TSAO) derivatives at the p51-p66 interface of HIV-1 reverse transcriptase. J Med Chem 44:1853-65 (2001) [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:
BDBM50105629
Synonyms:
CHEMBL54893 | N-(4-chloro-3-(3-methylbut-2-enyloxy)phenyl)-2-methylfuran-3-carbothioamide | N-{4-chloro-3-[(3-methylbut-2-enyl)oxy]phenyl}-2-methylfuran-3-carbothioamide | UC-781
Type:
Small organic molecule
Emp. Form.:
C17H18ClNO2S
Mol. Mass.:
335.848
SMILES:
[#6]\[#6](-[#6])=[#6]/[#6]-[#8]-c1cc(-[#7]-[#6](=S)-c2ccoc2-[#6])ccc1Cl
Structure:
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