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Target
cGMP-specific 3',5'-cyclic phosphodiesterase
Ligand
BDBM50559965
Substrate
n/a
Meas. Tech.
ChEMBL_2070956 (CHEMBL4726490)
IC50
3500±n/a nM
Citation
 Shaaban, MA; Elshaier, YAMM; Hammad, AH; Farag, NA; Hassan Haredy, H; AbdEl-Ghany, AA; Mohamed, KO Design and synthesis of pyrazolo[3,4-d]pyrimidinone derivatives: Discovery of selective phosphodiesterase-5 inhibitors. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article
Target
Name:
cGMP-specific 3',5'-cyclic phosphodiesterase
Synonyms:
3',5'-cyclic phosphodiesterase | CGB-PDE | PDE5 | PDE5A | PDE5A_HUMAN | Phosphodiesterase 2 and 5 (PDE2 and PDE5) | Phosphodiesterase 5 (PDE5) | Phosphodiesterase 5A | Phosphodiesterase 5A (PDE5A) | cGMP-binding cGMP-specific phosphodiesterase | cGMP-specific 3',5'-cyclic phosphodiesterase
Type:
Protein
Mol. Mass.:
99975.83
Organism:
Homo sapiens (Human)
Description:
O76074
Residue:
875
Sequence:
MERAGPSFGQQRQQQQPQQQKQQQRDQDSVEAWLDDHWDFTFSYFVRKATREMVNAWFAERVHTIPVCKEGIRGHTESCSCPLQQSPRADNSAPGTPTRKISASEFDRPLRPIVVKDSEGTVSFLSDSEKKEQMPLTPPRFDHDEGDQCSRLLELVKDISSHLDVTALCHKIFLHIHGLISADRYSLFLVCEDSSNDKFLISRLFDVAEGSTLEEVSNNCIRLEWNKGIVGHVAALGEPLNIKDAYEDPRFNAEVDQITGYKTQSILCMPIKNHREEVVGVAQAINKKSGNGGTFTEKDEKDFAAYLAFCGIVLHNAQLYETSLLENKRNQVLLDLASLIFEEQQSLEVILKKIAATIISFMQVQKCTIFIVDEDCSDSFSSVFHMECEELEKSSDTLTREHDANKINYMYAQYVKNTMEPLNIPDVSKDKRFPWTTENTGNVNQQCIRSLLCTPIKNGKKNKVIGVCQLVNKMEENTGKVKPFNRNDEQFLEAFVIFCGLGIQNTQMYEAVERAMAKQMVTLEVLSYHASAAEEETRELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLNLVQNFQMKHEVLCRWILSVKKNYRKNVAYHNWRHAFNTAQCMFAALKAGKIQNKLTDLEILALLIAALSHDLDHRGVNNSYIQRSEHPLAQLYCHSIMEHHHFDQCLMILNSPGNQILSGLSIEEYKTTLKIIKQAILATDLALYIKRRGEFFELIRKNQFNLEDPHQKELFLAMLMTACDLSAITKPWPIQQRIAELVATEFFDQGDRERKELNIEPTDLMNREKKNKIPSMQVGFIDAICLQLYEALTHVSEDCFPLLDGCRKNRQKWQALAEQQEKMLINGESGQAKRN
  
Inhibitor
Name:
BDBM50559965
Synonyms:
CHEMBL4790126
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:25.26,28.30,(29.17,-16.22,;30.51,-16.99,;31.84,-16.22,;33.18,-16.99,;34.51,-16.22,;34.5,-14.69,;35.84,-13.92,;35.84,-12.38,;37.17,-11.61,;38.51,-12.38,;39.85,-11.61,;41.18,-12.38,;42.51,-11.6,;43.85,-12.37,;45.17,-11.6,;46.5,-12.36,;46.51,-13.9,;45.17,-14.68,;43.84,-13.91,;39.84,-10.06,;38.5,-9.29,;37.18,-10.06,;35.84,-9.29,;34.51,-10.07,;35.84,-7.75,;34.51,-6.99,;34.51,-5.44,;33.18,-4.67,;31.84,-5.43,;30.51,-4.66,;31.84,-6.97,;33.17,-7.75,;33.17,-13.91,;31.84,-14.68,;30.51,-13.91,)|
Structure:
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