Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHigh affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
LigandBDBM350893
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
IC50 4560±n/a nM
Citation Martinez Gil, AGil Ayuso-Gontan, CBPerez Fernandez, DIGarcia Fernandez, AM S-substituted quinazolines and their therapeutic applications for the treatment of diseases mediated by PDE7 US Patent US9796687 Publication Date 10/24/2017
More Info.:Get all data from this article,  Assay Method
 
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
Name:High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
Synonyms:3',5'-cyclic phosphodiesterase | PDE7A | PDE7A_HUMAN | Phosphodiesterase 7 | Phosphodiesterase 7 (PDE7) | Phosphodiesterase 7A | Phosphodiesterase 7A (PDE7A1)
Type:Enzyme
Mol. Mass.:55514.96
Organism:Homo sapiens (Human)
Description:Q13946
Residue:482
Sequence:
MEVCYQLPVLPLDRPVPQHVLSRRGAISFSSSSALFGCPNPRQLSQRRGAISYDSSDQTA
LYIRMLGDVRVRSRAGFESERRGSHPYIDFRIFHSQSEIEVSVSARNIRRLLSFQRYLRS
SRFFRGTAVSNSLNILDDDYNGQAKCMLEKVGNWNFDIFLFDRLTNGNSLVSLTFHLFSL
HGLIEYFHLDMMKLRRFLVMIQEDYHSQNPYHNAVHAADVTQAMHCYLKEPKLANSVTPW
DILLSLIAAATHDLDHPGVNQPFLIKTNHYLATLYKNTSVLENHHWRSAVGLLRESGLFS
HLPLESRQQMETQIGALILATDISRQNEYLSLFRSHLDRGDLCLEDTRHRHLVLQMALKC
ADICNPCRTWELSKQWSEKVTEEFFHQGDIEKKYHLGVSPLCDRHTESIANIQIGFMTYL
VEPLFTEWARFSNTRLSQTMLGHVGLNKASWKGLQREQSSSEDTDAAFELNSQLLPQENR
LS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM350893
n/a
NameBDBM350893
Synonyms:2-Cyclopropylmethylthio-3-(2,6-difluorophenyl)-8-methyl-4-oxo-3,4-dihydroquinazoline | US9796687, Compound 15
TypeSmall organic molecule
Emp. Form.C19H16F2N2OS
Mol. Mass.358.405
SMILESCc1cccc2c1nc(SCC1CC1)n(-c1c(F)cccc1F)c2=O |(5.33,1.54,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;1.33,2.31,;2.1,3.64,;2.87,2.31,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;,-4.62,;1.33,-5.39,;2.67,-3.08,;2.67,-4.62,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: