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3UI7

Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management of schizophrenia

Functional Information from GO Data
ChainGOidnamespacecontents
A0004114molecular_function3',5'-cyclic-nucleotide phosphodiesterase activity
A0007165biological_processsignal transduction
A0008081molecular_functionphosphoric diester hydrolase activity
B0004114molecular_function3',5'-cyclic-nucleotide phosphodiesterase activity
B0007165biological_processsignal transduction
B0008081molecular_functionphosphoric diester hydrolase activity
Functional Information from PDB Data
site_idAC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE C1L A 1
ChainResidue
AHIS525
BGLY707
ALEU675
ASER677
AVAL678
AILE692
ATYR693
AMET713
AGLN726
APHE729

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 771
ChainResidue
AHOH10
AHOH25
AHOH29
AHOH30
AASP564

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN A 772
ChainResidue
AHOH30
AHIS529
AHIS563
AASP564
AASP674
AHOH773

site_idAC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE C1L B 1
ChainResidue
BHIS525
BLEU675
BVAL678
BILE692
BTYR693
BPHE696
BMET713
BGLY725
BGLN726
BPHE729

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 771
ChainResidue
BHOH104
BHOH112
BHOH117
BHOH118
BASP564
BZN772

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN B 772
ChainResidue
BHOH109
BHIS529
BHIS563
BASP564
BASP674
BMG771

Functional Information from PROSITE/UniProt
site_idPS00126
Number of Residues12
DetailsPDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDLdHrGfsNsY
ChainResidueDetails
AHIS563-TYR574

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsActive site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"O76083","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues12
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"17389385","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

242842

PDB entries from 2025-10-08

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