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Target
Reverse transcriptase
Ligand
BDBM222178
Substrate
n/a
Meas. Tech.
ChEMBL_2224849 (CHEMBL5138362)
EC50
2.3±n/a nM
Citation
 Wang, Z; Cherukupalli, S; Xie, M; Wang, W; Jiang, X; Jia, R; Pannecouque, C; De Clercq, E; Kang, D; Zhan, P; Liu, X Contemporary Medicinal Chemistry Strategies for the Discovery and Development of Novel HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors. J Med Chem 65:3729-3757 (2022) [PubMed] 
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:
BDBM222178
Synonyms:
Rilpivirine
Type:
Small organic molecule
Emp. Form.:
C22H18N6
Mol. Mass.:
366.4185
SMILES:
Cc1cc(\C=C\C#N)cc(C)c1Nc1ccnc(Nc2ccc(cc2)C#N)n1
Structure:
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