Reaction Details Report a problem with these data
Target
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B [654-1073]
Ligand
BDBM15337
Substrate
BDBM10851
Meas. Tech.
PDE SPA Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
0.27±n/a nM
Citation
 Scapin, G; Patel, SB; Chung, C; Varnerin, JP; Edmondson, SD; Mastracchio, A; Parmee, ER; Singh, SB; Becker, JW; Van der Ploeg, LH; Tota, MR Crystal structure of human phosphodiesterase 3B: atomic basis for substrate and inhibitor specificity. Biochemistry 43:6091-100 (2004) [PubMed]  Article 
Target
Name:
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B [654-1073]
Synonyms:
CGI-PDE B | CGIP1 | CGIPDE1 | Cyclic GMP-inhibited phosphodiesterase B | PDE3B | PDE3B_HUMAN | Phosphodiesterase Type 3 (PDE3B) | cGMP-inhibited 3',5'-cyclic phosphodiesterase B [654-1073] | cGMP-inhibited 3,5-cyclic phosphodiesterase B
Type:
Enzyme
Mol. Mass.:
48083.71
Organism:
Homo sapiens (Human)
Description:
Catalytic domain of PDE3B (residues 654-1073) was expressed in Escherichia coli.
Residue:
420
Sequence:
EQEVSLDLILVEEYDSLIEKMSNWNFPIFELVEKMGEKSGRILSQVMYTLFQDTGLLEIFKIPTQQFMNYFRALENGYRDIPYHNRIHATDVLHAVWYLTTRPVPGLQQIHNGCGTGNETDSDGRINHGRIAYISSKSCSNPDESYGCLSSNIPALELMALYVAAAMHDYDHPGRTNAFLVATNAPQAVLYNDRSVLENHHAASAWNLYLSRPEYNFLLHLDHVEFKRFRFLVIEAILATDLKKHFDFLAEFNAKANDVNSNGIEWSNENDRLLVCQVCIKLADINGPAKVRDLHLKWTEGIVNEFYEQGDEEANLGLPISPFMDRSSPQLAKLQESFITHIVGPLCNSYDAAGLLPGQWLEAEEDNDTESGDDEDGEELDTEDEEMENNLNPKPPRRKSRRRIFCQLMHHLTENHKIWK
  
Inhibitor
Name:
BDBM15337
Synonyms:
(5R)-6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one | (5R)-6-[4-({2-[(3-iodophenyl)methyl]-3-oxocyclohex-1-en-1-yl}amino)phenyl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one | MERCK1 | dihydropyridazinone 14e
Type:
Small organic molecule
Emp. Form.:
C24H24IN3O2
Mol. Mass.:
513.3707
SMILES:
C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(I)c3)C(=O)CCC2)cc1 |r,c:6,14|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM10851
Synonyms:
(4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-1,3,5,2-furo[3,2-d][1,3,2]dioxaphosphinin-2-one | (4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide | ADENOSINE-3 ,5 -CYCLIC-MONOPHOSPHATE | Cyclic adenosine monophosphate | cAMP | cid_23902375
Type:
Small organic molecule
Emp. Form.:
C10H12N5O6P
Mol. Mass.:
329.2059
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O
Structure:
Search PDB for entries with ligand similarity: