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Target
Reverse transcriptase/RNaseH
Ligand
BDBM50127561
Substrate
n/a
Meas. Tech.
ChEMBL_197282 (CHEMBL804269)
EC50
160±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:
BDBM50127561
Synonyms:
1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-4-chloromethylbenzimidazole | 4-Chloromethyl-1-(2,6-difluoro-benzyl)-2-(2,6-difluoro-phenyl)-1H-benzoimidazole | CHEMBL294004
Type:
Small organic molecule
Emp. Form.:
C21H13ClF4N2
Mol. Mass.:
404.788
SMILES:
Fc1cccc(F)c1Cn1c(nc2c(CCl)cccc12)-c1c(F)cccc1F |(12.21,-16.49,;10.69,-16.19,;9.68,-17.34,;8.17,-17.03,;7.68,-15.57,;8.7,-14.42,;7.21,-14.01,;10.2,-14.73,;11.23,-13.59,;10.74,-12.12,;11.65,-10.87,;10.73,-9.62,;9.27,-10.11,;7.93,-9.34,;7.92,-7.8,;9.26,-7.03,;6.6,-10.13,;6.6,-11.67,;7.93,-12.44,;9.27,-11.65,;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,-8.17,)|
Structure:
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