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4DFF

The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment 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 Residues7
DetailsBINDING SITE FOR RESIDUE MG A 801
ChainResidue
AASP564
AZN802
AHOH909
AHOH921
AHOH922
AHOH924
AHOH927

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN A 802
ChainResidue
AASP564
AASP674
AMG801
AHOH921
AHIS529
AHIS563

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE 0JP B 801
ChainResidue
BLEU675
BVAL678
BTYR693
BMET713
BGLN726
BPHE729

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG B 802
ChainResidue
BASP564
BZN803
BHOH905
BHOH914
BHOH916
BHOH917
BHOH921

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ZN B 803
ChainResidue
BHIS529
BHIS563
BASP564
BASP674
BMG802
BHOH911
BHOH914

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
BASP564
BASP674
BGLN726
AHIS529
AHIS563
AASP564
AASP674
AGLN726
BHIS525
BHIS529
BHIS563

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PDB entries from 2024-10-16

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