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Target
Reverse transcriptase/RNaseH
Ligand
BDBM50061574
Substrate
n/a
Meas. Tech.
ChEMBL_197282 (CHEMBL804269)
EC50
750±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:
BDBM50061574
Synonyms:
1-Benzyl-2-(2,6-difluoro-phenyl)-4-methyl-1H-benzoimidazole | CHEMBL58607
Type:
Small organic molecule
Emp. Form.:
C21H16F2N2
Mol. Mass.:
334.3619
SMILES:
Cc1cccc2n(Cc3ccccc3)c(nc12)-c1c(F)cccc1F |(7.92,-7.8,;7.93,-9.34,;6.6,-10.13,;6.6,-11.67,;7.93,-12.44,;9.27,-11.65,;10.74,-12.12,;11.23,-13.59,;10.2,-14.73,;8.7,-14.42,;7.68,-15.57,;8.17,-17.03,;9.68,-17.34,;10.69,-16.19,;11.65,-10.87,;10.73,-9.62,;9.27,-10.11,;13.18,-10.86,;13.96,-12.19,;13.19,-13.53,;15.5,-12.19,;16.26,-10.85,;15.48,-9.5,;13.94,-9.53,;13.16,-8.2,)|
Structure:
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