Reaction Details Report a problem with these data
Target
cGMP-specific 3',5'-cyclic phosphodiesterase
Ligand
BDBM50036633
Substrate
n/a
Meas. Tech.
ChEMBL_1433727 (CHEMBL3386398)
IC50
0.900000±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:
BDBM50036633
Synonyms:
CHEMBL3354285
Type:
Small organic molecule
Emp. Form.:
C25H34ClN5O4
Mol. Mass.:
504.022
SMILES:
CO[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(nc1NCc1ccc(OC)c(Cl)c1)N1CCC[C@H]1CO |r,wU:5.8,32.36,wD:2.1,(10.17,-30.98,;10.17,-29.44,;8.84,-28.67,;8.84,-27.13,;7.5,-26.35,;6.18,-27.13,;6.18,-28.67,;7.5,-29.44,;4.85,-26.36,;4.84,-24.82,;6.17,-24.05,;3.5,-24.05,;2.17,-24.83,;.84,-24.06,;.84,-22.52,;2.16,-21.74,;3.5,-22.51,;4.83,-21.73,;4.82,-20.19,;6.15,-19.41,;6.13,-17.88,;7.45,-17.1,;8.8,-17.86,;10.13,-17.09,;11.47,-17.85,;8.81,-19.41,;10.14,-20.17,;7.48,-20.18,;-.5,-21.75,;-1.92,-22.38,;-2.94,-21.24,;-2.18,-19.9,;-.67,-20.22,;.48,-19.19,;1.94,-19.66,)|
Structure:
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