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Target
Reverse transcriptase/RNaseH
Ligand
BDBM50127554
Substrate
n/a
Meas. Tech.
ChEMBL_197282 (CHEMBL804269)
EC50
50±n/a nM
Citation
 Kroeger Smith, MB; Hose, BM; Hawkins, A; Lipchock, J; Farnsworth, DW; Rizzo, RC; Tirado-Rives, J; Arnold, E; Zhang, W; Hughes, SH; Jorgensen, WL; Michejda, CJ; Smith, RH Molecular modeling calculations of HIV-1 reverse transcriptase nonnucleoside inhibitors: correlation of binding energy with biological activity for novel 2-aryl-substituted benzimidazole analogues. J Med Chem 46:1940-7 (2003) [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:
BDBM50127554
Synonyms:
1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-hydroxymethylbenzimidazole | CHEMBL292831 | [1-(2,6-Difluoro-benzyl)-2-(2,6-difluoro-phenyl)-1H-benzoimidazol-4-yl]-methanol
Type:
Small organic molecule
Emp. Form.:
C21H14F4N2O
Mol. Mass.:
386.3423
SMILES:
OCc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(9.26,-7.73,;7.92,-8.5,;7.93,-10.04,;6.6,-10.83,;6.6,-12.37,;7.93,-13.14,;9.27,-12.35,;10.74,-12.82,;11.23,-14.29,;10.2,-15.43,;10.69,-16.89,;12.21,-17.19,;9.68,-18.04,;8.17,-17.73,;7.68,-16.27,;8.7,-15.12,;7.21,-14.71,;11.65,-11.57,;10.73,-10.32,;9.27,-10.81,;13.18,-11.56,;13.96,-12.89,;13.19,-14.23,;15.5,-12.89,;16.26,-11.55,;15.48,-10.2,;13.94,-10.23,;13.16,-8.89,)|
Structure:
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