Brand  (β version)

PDB ID: 3UI7

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
C1L 6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1h-pyrazolo[3,4-B]quinoline PoSSuM
MG Magnesium ion PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 3UI7   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management of schizophrenia
Release Data : 2011-12-21
Compound :
mol_id molecule chains
1 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A A,B
ec: 3.1.4.17, 3.1.4.35
fragment: CATALYTIC DOMAIN, UNP residues 432-760
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: PDE10A
Authors : Yang, S., Smotryski, J., Mcelroy, W., Ho, G., Tulshian, D., Greenlee, W.J., Hodgson, R., Xiao, L., Hruza, A.
Keywords : INHIBITOR COMPLEX, HYDROLASE, ZN BINDING, MG BINDING, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.28 Å )
Citation :

Discovery of orally active pyrazoloquinolines as potent PDE10 inhibitors for the management of schizophrenia.

Yang, S.W.,Smotryski, J.,McElroy, W.T.  et al.
(2012)  Bioorg.Med.Chem.Lett.  22 : 235 - 239

PubMed: 22142545
DOI: 10.1016/j.bmcl.2011.11.023

Reaction

Chain : A, B
UniProt : Q9Y233 (PDE10_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a nucleoside 3',5'-cyclic phosphate + H2O = a nucleoside 5'- phosphate + H(+) 3.1.4.17 PubMed:10373451, PubMed:10393245, PubMed:17389385, PubMed:27058447
-
3',5'-cyclic AMP + H2O = AMP + H(+) - PubMed:10373451, PubMed:10393245, PubMed:16330539, PubMed:17389385, PubMed:27058447
-
3',5'-cyclic GMP + H2O = GMP + H(+) - PubMed:10373451, PubMed:10393245, PubMed:17389385, PubMed:27058447
-