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2Y0J

Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors, part 2, Lead-optimisation.

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 Residues11
DetailsBINDING SITE FOR RESIDUE AXC B 1760
ChainResidue
BLEU665
BHOH2081
BHOH2107
BILE682
BTYR683
BPHE686
BPRO702
BMET703
BGLN716
BPHE719
BVAL723

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE AXC A 1760
ChainResidue
ALEU665
AILE682
ATYR683
AMET703
AGLY715
AGLN716
AGLY718
APHE719
AVAL723
AHOH2089
BLEU696
BILE698

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN B 1761
ChainResidue
BHIS519
BHIS553
BASP554
BASP664
BMG1762
BHOH2108

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN A 1761
ChainResidue
AHIS519
AHIS553
AASP554
AASP664
AMG1762
AHOH2112

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG A 1762
ChainResidue
AASP554
AZN1761
AHOH2036
AHOH2045
AHOH2046
AHOH2059
AHOH2112

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG B 1762
ChainResidue
BASP554
BZN1761
BHOH2027
BHOH2046
BHOH2047
BHOH2060
BHOH2108

Functional Information from PROSITE/UniProt
site_idPS00126
Number of Residues12
DetailsPDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDLdHrGfsNsY
ChainResidueDetails
AHIS553-TYR564

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:18477562, ECO:0007744|PDB:2ZMF
ChainResidueDetails
AASN562
ASER606
AGLN640
AMET659
BASN562
BSER606
BGLN640
BMET659

218853

PDB entries from 2024-04-24

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