sc-PDB

List of CHEMBLId :

This value allows a number of roughly comparable measures of half-maximal response concentration/potency/affinity to be compared on a negative logarithmic scale (e.g., an IC50 measurement of 1nM would have a pChEMBL value of 9).

Uniprot Annotation

Name:	Glycogen synthase kinase-3 beta
ID:	GSK3B_HUMAN
AC:	P49841
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.11.26

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Chains:

Chain Name:	Percentage of Residues within binding site
A	4 %
B	96 %

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Ligand binding site composition:

B-Factor:	52.391
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.133	1242.000

% Hydrophobic	% Polar
33.70	66.30
According to VolSite

HET Code:	I5R
Formula:	C16H14N4O
Molecular weight:	278.309 g/mol
DrugBank ID:	-
Buried Surface Area:	63.74 %
Polar Surface area:	69.81 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	3
Rings:	4
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
13.0327	11.332	26.031

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