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Target
Reverse transcriptase/RNaseH
Ligand
BDBM50127558
Substrate
n/a
Meas. Tech.
ChEMBL_197282 (CHEMBL804269)
EC50
100±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:
BDBM50127558
Synonyms:
1-(2,6-Difluoro-benzyl)-2-(2,6-difluoro-phenyl)-1H-benzoimidazole-4-carbaldehyde | 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-1H-benzo[d]imidazole-4-carbaldehyde | 1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)benzimidazole-4-carbaldehyde | CHEMBL59237
Type:
Small organic molecule
Emp. Form.:
C21H12F4N2O
Mol. Mass.:
384.3264
SMILES:
Fc1cccc(F)c1Cn1c(nc2c(C=O)cccc12)-c1c(F)cccc1F |(-3.52,-26.57,;-5.03,-26.26,;-6.04,-27.41,;-7.56,-27.1,;-8.04,-25.64,;-7.02,-24.49,;-7.5,-23.03,;-5.51,-24.81,;-4.49,-23.66,;-4.98,-22.2,;-4.08,-20.94,;-4.99,-19.7,;-6.45,-20.18,;-7.79,-19.42,;-7.79,-17.88,;-9.13,-17.11,;-9.12,-20.19,;-9.12,-21.74,;-7.79,-22.51,;-6.45,-21.73,;-2.54,-20.93,;-1.76,-22.26,;-2.53,-23.6,;-.22,-22.26,;.54,-20.92,;-.25,-19.58,;-1.78,-19.6,;-2.56,-18.27,)|
Structure:
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