Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B
LigandBDBM14777
Substrate/Competitorn/a
Meas. Tech.ChEMBL_156011 (CHEMBL765422)
IC50>10000±n/a nM
Citation Daugan, AGrondin, PRuault, CLe Monnier de Gouville, ACCoste, HLinget, JMKirilovsky, JHyafil, FLabaudinière, R The discovery of tadalafil: a novel and highly selective PDE5 inhibitor. 2: 2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione analogues. J Med Chem46:4533-42 (2003) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B
Name:Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B
Synonyms:Phosphodiesterase 1
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 156011
Components:This complex has 2 components.
Component 1
Name:Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Synonyms:63 kDa Cam-PDE | Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | Cam-PDE 1B | PDE1B | PDE1B1 | PDE1B_BOVIN
Type:PROTEIN
Mol. Mass.:60991.90
Organism:Bos taurus
Description:ChEMBL_104913
Residue:534
Sequence:
MELSPRSPPEMLESDCPSPLELKSAPSKKMWIKLRSLLRYMVKQLENGEVNIEELKKNLE
YTASLLEAVYIDETRQILDTEDELQELRSDAVPSEVRDWLASTFTQQTRAKGPSEEKPKF
RSIVHAVQAGIFVERMFRRTYTSVGPTYSTAVLNCLKNVDLWCFDVFSLNRAADDHALRT
IVFELLTRHNLISRFKIPTVFLMTFLDALETGYGKYKNPYHNQIHAADVTQTVHCFLLRT
GMVHCLSEIEVLAIIFAAAIHDYEHTGTTNSFHIQTKSECAILYNDRSVLENHHISSVFR
MMQDDEMNIFINLTKDEFVELRALVIEMVLATDMSCHFQQVKSMKTALQQLERIDKSKAL
SLLLHAADISHPTKQWSVHSRWTKALMEEFFRQGDKEAELGLPFSPLCDRTSTLVAQSQI
GFIDFIVEPTFSVLTDVAEKSVQPTGDDDSKSKNQPSFQWRQPSLDVEVGDPNPDVVSFR
STWTKYIQENKQKWKERAASGITNQMSIDELSPCEEEAPASPAEDEHNQNGNLD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A
Synonyms:Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A | Heart phosphodiesterase | PDE1A | PDE1A_BOVIN | Phosphodiesterase 1 | Phosphodiesterase 1A
Type:Enzyme Catalytic Domain
Mol. Mass.:60835.05
Organism:BOVINE
Description:Phosphodiesterase 1 0 BOVINE::P14100
Residue:530
Sequence:
MGSTATETEELENTTFKYLIGEQTEKMWQRLKGILRCLVKQLEKGDVNVIDLKKNIEYAA
SVLEAVYIDETRRLLDTDDELSDIQSDSVPSEVRDWLASTFTRKMGMMKKKSEEKPRFRS
IVHVVQAGIFVERMYRKSYHMVGLAYPEAVIVTLKDVDKWSFDVFALNEASGEHSLKFMI
YELFTRYDLINRFKIPVSCLIAFAEALEVGYSKYKNPYHNLIHAADVTQTVHYIMLHTGI
MHWLTELEILAMVFAAAIHDYEHTGTTNNFHIQTRSDVAILYNDRSVLENHHVSAAYRLM
QEEEMNVLINLSKDDWRDLRNLVIEMVLSTDMSGHFQQIKNIRNSLQQPEGLDKAKTMSL
ILHAADISHPAKSWKLHHRWTMALMEEFFLQGDKEAELGLPFSPLCDRKSTMVAQSQIGF
IDFIVEPTFSLLTDSTEKIIIPLIEEDSKTKTPSYGASRRSNMKGTTNDGTYSPDYSLAS
VDLKSFKNSLVDIIQQNKERWKELAAQGEPDPHKNSDLVNAEEKHAETHS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM14777
n/a
NameBDBM14777
Synonyms:(2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11(16),12,14-tetraene-4,7-dione | (6R,12aR)-6-(1,3-benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1,2,1,6]pyrido[3,4-b]indole-1,4-dione | CHEMBL779 | Cialis | GF 196960 | Tadalafil
TypeSmall organic molecule
Emp. Form.C22H19N3O4
Mol. Mass.389.404
SMILES[H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: