Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM50078578
Substrate
n/a
Meas. Tech.
ChEMBL_1471243 (CHEMBL3418336)
IC50
5700±n/a nM
Citation
 Huang, B; Liang, X; Li, C; Chen, W; Liu, T; Li, X; Sun, Y; Fu, L; Liu, H; De Clercq, E; Pannecouque, C; Zhan, P; Liu, X Fused heterocycles bearing bridgehead nitrogen as potent HIV-1 NNRTIs. Part 4: design, synthesis and biological evaluation of novel imidazo[1,2-a]pyrazines. Eur J Med Chem 93:330-7 (2015) [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:
BDBM50078578
Synonyms:
CHEMBL3415136
Type:
Small organic molecule
Emp. Form.:
C22H19N5O
Mol. Mass.:
369.4192
SMILES:
Cc1cccc(C)c1Oc1nc(Nc2ccc(CC#N)cc2)cn2ccnc12
Structure:
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