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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
DetailsACT_SITE: Proton donor => ECO:0000250|UniProtKB:O76083
ChainResidueDetails
AHIS525
BHIS525

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:18477562, ECO:0007744|PDB:2ZMF
ChainResidueDetails
AGLY569
ATHR613
AGLU647
AILE666
BGLY569
BTHR613
BGLU647
BILE666

site_idSWS_FT_FI3
Number of Residues12
DetailsBINDING: BINDING => ECO:0000269|PubMed:17389385
ChainResidueDetails
AHIS525
AHIS529
AHIS563
AASP564
AASP674
AGLN726
BHIS525
BHIS529
BHIS563
BASP564
BASP674
BGLN726

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PDB entries from 2024-05-15

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