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Target
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligand
BDBM50398658
Substrate
n/a
Meas. Tech.
ChEMBL_874730 (CHEMBL2187963)
IC50
721±n/a nM
Citation
 Meng, F; Hou, J; Shao, YX; Wu, PY; Huang, M; Zhu, X; Cai, Y; Li, Z; Xu, J; Liu, P; Luo, HB; Wan, Y; Ke, H Structure-based discovery of highly selective phosphodiesterase-9A inhibitors and implications for inhibitor design. J Med Chem 55:8549-58 (2012) [PubMed]  Article 
Target
Name:
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Synonyms:
3',5'-cyclic phosphodiesterase | PDE9A | PDE9A_HUMAN | Phosphodiesterase 9A | Phosphodiesterase 9A (PDE9) | Phosphodiesterase 9A (PDE9A)
Type:
Protein
Mol. Mass.:
68488.40
Organism:
Homo sapiens (Human)
Description:
O76083
Residue:
593
Sequence:
MGSGSSSYRPKAIYLDIDGRIQKVIFSKYCNSSDIMDLFCIATGLPRNTTISLLTTDDAMVSIDPTMPANSERTPYKVRPVAIKQLSAGVEDKRTTSRGQSAERPLRDRRVVGLEQPRREGAFESGQVEPRPREPQGCYQEGQRIPPEREELIQSVLAQVAEQFSRAFKINELKAEVANHLAVLEKRVELEGLKVVEIEKCKSDIKKMREELAARSSRTNCPCKYSFLDNHKKLTPRRDVPTYPKYLLSPETIEALRKPTFDVWLWEPNEMLSCLEHMYHDLGLVRDFSINPVTLRRWLFCVHDNYRNNPFHNFRHCFCVAQMMYSMVWLCSLQEKFSQTDILILMTAAICHDLDHPGYNNTYQINARTELAVRYNDISPLENHHCAVAFQILAEPECNIFSNIPPDGFKQIRQGMITLILATDMARHAEIMDSFKEKMENFDYSNEEHMTLLKMILIKCCDISNEVRPMEVAEPWVDCLLEEYFMQSDREKSEGLPVAPFMDRDKVTKATAQIGFIKFVLIPMFETVTKLFPMVEEIMLQPLWESRDRYEELKRIDDAMKELQKKTDSLTSGATEKSRERSRDVKNSEGDCA
  
Inhibitor
Name:
BDBM50398658
Synonyms:
CHEMBL2178113
Type:
Small organic molecule
Emp. Form.:
C20H17ClN6O2
Mol. Mass.:
408.841
SMILES:
CC(Nc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1Cl)C(=O)Nc1ccccc1
Structure:
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