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Target
Reverse transcriptase
Ligand
BDBM50476717
Substrate
n/a
Meas. Tech.
ChEMBL_446085 (CHEMBL895180)
IC50
9200±n/a nM
Citation
 Cullen, MD; Deng, BL; Hartman, TL; Watson, KM; Buckheit, RW; Pannecouque, C; Clercq, ED; Cushman, M Synthesis and biological evaluation of alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors that possess increased hydrolytic stability. J Med Chem 50:4854-67 (2007) [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:
BDBM50476717
Synonyms:
CHEMBL438127
Type:
Small organic molecule
Emp. Form.:
C26H27N3O5S
Mol. Mass.:
493.575
SMILES:
COc1c(C)cc(cc1C(=O)SC)C(=C/CCc1nnc(C)o1)\c1cc(C)c2on(C)c(=O)c2c1
Structure:
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