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Target
Reverse transcriptase/RNaseH
Ligand
BDBM50597048
Substrate
n/a
Meas. Tech.
ChEMBL_2222731 (CHEMBL5136065)
IC50
73±n/a nM
Citation
 Jin, X; Zhao, LM; Wang, S; Huang, WJ; Zhang, YX; Pannecouque, C; De Clercq, E; Chen, FE Structure-Based Discovery of Novel NH J Med Chem 65:8478-8492 (2022) [PubMed] 
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:
BDBM50597048
Synonyms:
CHEMBL5192203
Type:
Small organic molecule
Emp. Form.:
C26H23N5O2
Mol. Mass.:
437.4931
SMILES:
COc1cccc(c1)-c1cc(C)c(Oc2cc(N)nc(Nc3ccc(cc3)C#N)n2)c(C)c1
Structure:
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