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Target
cGMP-specific 3',5'-cyclic phosphodiesterase
Ligand
BDBM50126454
Substrate
n/a
Meas. Tech.
ChEMBL_816147 (CHEMBL2024713)
IC50
5200±n/a nM
Citation
 Beghyn, TB; Charton, J; Leroux, F; Henninot, A; Reboule, I; Cos, P; Maes, L; Deprez, B Drug-to-genome-to-drug, step 2: reversing selectivity in a series of antiplasmodial compounds. J Med Chem 55:1274-86 (2012) [PubMed]  Article 
Target
Name:
cGMP-specific 3',5'-cyclic phosphodiesterase
Synonyms:
PDE5 | PDE5A | PDE5A_BOVIN | Phosphodiesterase 5A
Type:
PROTEIN
Mol. Mass.:
98615.45
Organism:
Bos taurus
Description:
ChEMBL_155186
Residue:
865
Sequence:
MERAGPGSARPQQQWDQDSVEAWLDDHWDFTFSYFVRKGTREMVNAWFAERVHTIPVCKEGIKGHTESCSCPLQPSPRAESSVPGTPTRKISASEFDRPLRPIVIKDSEGTVSFLSDSDKKEQMPLTSPRFDNDEGDQCSRLLELVKDISSHLDVTALCHKIFLHIHGLISADRYSLFLVCEDSSNDKFLISRLFDVAEGSTLEEASNNCIRLEWNKGIVGHVAAFGEPLNIKDAYEDPRFNAEVDQITGYKTQSILCMPIKNHREEVVGVAQAINKKSGNGGTFTEKDEKDFAAYLAFCGIVLHNAQLYETSLLENKRNQVLLDLASLIFEEQQSLEVILKKIAATIISFMQVQKCTIFIVDEDCSDSFSSVFHMECEELEKSSDTLTRERDANRINYMYAQYVKNTMEPLNIPDVSKDKRFPWTNENMGNINQQCIRSLLCTPIKNGKKNKVIGVCQLVNKMEETTGKVKAFNRNDEQFLEAFVIFCGLGIQNTQMYEAVERAMAKQMVTLEVLSYHASAAEEETRELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLNLVQNFQMKHEVLCKWILSVKKNYRKNVAYHNWRHAFNTAQCMFAALKAGKIQKRLTDLEILALLIAALSHDLDHRGVNNSYIQRSEHPLAQLYCHSIMEHHHFDQCLMILNSPGNQILSGLSIEEYKTTLKIIKQAILATDLALYIKRRGEFFELIMKNQFNLEDPHQKELFLAMLMTACDLSAITKPWPIQQRIAELVATEFFDQGDRERKELNIEPADLMNREKKNKIPSMQVGFIDAICLQLYEALTHVSEDCFPLLDGCRKNRQKWQALAEQQEKTLINGESSQTKRN
  
Inhibitor
Name:
BDBM50126454
Synonyms:
(6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-(3,4-dimethoxy-phenyl)-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione | CHEMBL284745
Type:
Small organic molecule
Emp. Form.:
C33H34N4O4
Mol. Mass.:
550.6475
SMILES:
COc1ccc(cc1OC)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1
Structure:
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