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Target
cGMP-specific 3',5'-cyclic phosphodiesterase
Ligand
BDBM50036619
Substrate
n/a
Meas. Tech.
ChEMBL_1433727 (CHEMBL3386398)
IC50
3.5±n/a nM
Citation
 Sakamoto, T; Koga, Y; Hikota, M; Matsuki, K; Murakami, M; Kikkawa, K; Fujishige, K; Kotera, J; Omori, K; Morimoto, H; Yamada, K The discovery of avanafil for the treatment of erectile dysfunction: a novel pyrimidine-5-carboxamide derivative as a potent and highly selective phosphodiesterase 5 inhibitor. Bioorg Med Chem Lett 24:5460-5 (2015) [PubMed]  Article
Target
Name:
cGMP-specific 3',5'-cyclic phosphodiesterase
Synonyms:
CGB-PDE | PDE5 | PDE5A | PDE5A_CANLF | Phosphodiesterase 5A | cGMP-binding cGMP-specific phosphodiesterase | cGMP-specific 3',5'-cyclic phosphodiesterase
Type:
PROTEIN
Mol. Mass.:
98285.03
Organism:
Canis lupus familiaris
Description:
ChEMBL_105565
Residue:
865
Sequence:
MERGSPGAGAARLPRDQDSVEAWLDDHRDFTFSYFVKKATREMVNAWFAERVHTIPVCKEGIRGHAESCSCSSQQSSRADSSAPGTPTRKISASEFDRPLRPIVVKDSEGTVSFLADSEKKEQMPLTPPRFDNDEGDQCSRLLELVKDISSHLDVTALCHKIFLHIHGLISADRYSLFLVCEDSSNDKFLISRLFDVAEGSTLEEASNNCIRLEWNKGIVGHVAALGEPLNIKDAYEDPRFNAEVDQITGYKTQSILCMPIKNHREEVVGVAQAINKKSGNGGTFTEKDEKDFAAYLAFCGIVLHNAQLYETSLLENKRNQVLLDLASLIFEEQQSLEVILKKIAATIISFMQVQKCTIFIVDEDCSDSFSSVFHMECEELEKLPDTLTRERDANRINYMYAQYVKNTMEPLNIPDVSKDKRFPWTNENTGNVNQQCIRSLLCTPIKNGKKNKVIGVCQLVNKMEENTGKVKPFNRNDEQFLEAFVIFCGLGIQNTQMYEAVERAMAKQMVTLEVLSYHASAAEEETKELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLNLVQNFQMKHEVLCRWILSVKKNYRKNVAYHNWRHAFNTAQCMFAALKAGKIQNKLTDLEILALLIAALSHDLDHRGVNNSYIQRSEHPLAQLYCHSIMEHHHFDQCLMILNSPGNQILSGLSIEEYKTTLKIIKQAILATDLALYIKRRGEFFELIRKNQFNLEDPHQKELFLAMLMTACDLSAITKPWPIQQRIAELVATEFFDQGDRERKELNIEPADLMNREKKNKIPSMQVGFIDAICLQLYEALTHVSEDCFPLLDGCRKNRQKWQALAEQQEKTLINGESSQAKRN
  
Inhibitor
Name:
BDBM50036619
Synonyms:
CHEMBL3354273
Type:
Small organic molecule
Emp. Form.:
C25H28ClN5O4
Mol. Mass.:
497.974
SMILES:
COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)N[C@H]2CC[C@H](O)CC2)cc1Cl |r,wU:25.26,wD:28.30,(24.65,-12.85,;23.31,-12.09,;21.98,-12.86,;20.64,-12.1,;19.31,-12.88,;19.33,-14.41,;18,-15.19,;18.01,-16.73,;16.68,-17.51,;15.35,-16.74,;14.03,-17.52,;12.69,-16.75,;11.36,-17.52,;10.02,-16.76,;10.02,-15.21,;8.68,-14.44,;7.36,-15.21,;7.35,-16.76,;8.69,-17.53,;14.02,-19.06,;15.35,-19.83,;16.69,-19.05,;18.02,-19.82,;19.36,-19.05,;18.03,-21.36,;19.36,-22.13,;20.69,-21.34,;22.02,-22.12,;22.02,-23.66,;23.36,-24.43,;20.69,-24.43,;19.36,-23.66,;20.66,-15.18,;21.99,-14.41,;23.33,-15.17,)|
Structure:
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