Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM50460891
Substrate
n/a
Meas. Tech.
ChEMBL_1770539 (CHEMBL4222651)
IC50
230±n/a nM
Citation
 Lu, X; Yang, J; Kang, D; Gao, P; Daelemans, D; De Clercq, E; Pannecouque, C; Zhan, P; Liu, X The discovery of novel diarylpyri(mi)dine derivatives with high level activity against a wide variety of HIV-1 strains as well as against HIV-2. Bioorg Med Chem 26:2051-2060 (2018) [PubMed]  Article 
Target
Name:
Reverse transcriptase
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
29598.37
Organism:
Human immunodeficiency virus 1
Description:
Q9WKE8
Residue:
254
Sequence:
PISPITVPVKLKPGMDGPKVKQWPLTEEKIKALTEICTEMEKEGKIEKIGPENPYNTPVFAIKKKDSTKWRKVVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIEQHRAKIEELRQHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVN
  
Inhibitor
Name:
BDBM50460891
Synonyms:
CHEMBL4225737
Type:
Small organic molecule
Emp. Form.:
C25H24N6O2
Mol. Mass.:
440.4971
SMILES:
COCCNc1cc(Oc2c(C)cc(\C=C\C#N)cc2C)nc(Nc2ccc(cc2)C#N)n1
Structure:
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