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Target
Reverse transcriptase
Ligand
BDBM50465431
Substrate
n/a
Meas. Tech.
ChEMBL_1784874 (CHEMBL4256391)
IC50
13±n/a nM
Citation
 Huo, Z; Zhang, H; Kang, D; Zhou, Z; Wu, G; Desta, S; Zuo, X; Wang, Z; Jing, L; Ding, X; Daelemans, D; De Clercq, E; Pannecouque, C; Zhan, P; Liu, X Discovery of Novel Diarylpyrimidine Derivatives as Potent HIV-1 NNRTIs Targeting the "NNRTI Adjacent" Binding Site. ACS Med Chem Lett 9:334-338 (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:
BDBM50465431
Synonyms:
CHEMBL4282223
Type:
Small organic molecule
Emp. Form.:
C29H24N6O3S
Mol. Mass.:
536.604
SMILES:
Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)ncc1SCC(=O)NCc1ccc(O)cc1)C#N
Structure:
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