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Target
Reverse transcriptase/RNaseH
Ligand
BDBM50127559
Substrate
n/a
Meas. Tech.
ChEMBL_197282 (CHEMBL804269)
EC50
2710±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:
BDBM50127559
Synonyms:
1-(2,6-Difluoro-benzyl)-2-(2-fluoro-6-methoxy-phenyl)-1H-benzoimidazol-4-ylamine | CHEMBL58797
Type:
Small organic molecule
Emp. Form.:
C21H16F3N3O
Mol. Mass.:
383.3664
SMILES:
COc1cccc(F)c1-c1nc2c(N)cccc2n1Cc1c(F)cccc1F |(12.07,-3.61,;11.31,-4.95,;12.09,-6.28,;13.63,-6.25,;14.41,-7.58,;13.66,-8.93,;12.12,-8.93,;11.36,-10.28,;11.33,-7.6,;9.81,-7.62,;8.89,-6.37,;7.43,-6.86,;6.09,-6.09,;6.09,-4.55,;4.76,-6.87,;4.76,-8.4,;6.09,-9.18,;7.44,-8.4,;8.91,-8.86,;9.39,-10.33,;8.37,-11.47,;6.86,-11.16,;5.32,-11.16,;5.83,-12.31,;6.32,-13.77,;7.84,-14.08,;8.86,-12.93,;10.37,-13.24,)|
Structure:
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