Reaction Details Report a problem with these data
Target
Reverse transcriptase
Ligand
BDBM2753
Substrate
n/a
Meas. Tech.
ChEMBL_446085 (CHEMBL895180)
IC50
300±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:
BDBM2753
Synonyms:
Alkenyldiarylmethanes (ADAM) 22 | CHEMBL294840 | Methyl 3,3-Dichloro-4,4-dimethoxy-5,5-bis(methoxycarbonyl)-6,6-diphenylhexenoate | methyl 3-chloro-5-{1-[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]-6-methoxy-6-oxohex-1-en-1-yl}-2-methoxybenzoate
Type:
Small organic molecule
Emp. Form.:
C25H26Cl2O8
Mol. Mass.:
525.375
SMILES:
[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
Structure:
Search PDB for entries with ligand similarity: