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:	MAP kinase-activated protein kinase 3
ID:	MAPK3_HUMAN
AC:	Q16644
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.11.1

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Chains:

Chain Name:	Percentage of Residues within binding site
A	100 %

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Ligand binding site composition:

B-Factor:	72.780
Number of residues:	36
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.963	580.500

% Hydrophobic	% Polar
49.42	50.58
According to VolSite

HET Code:	I85
Formula:	C24H23F3N5O2
Molecular weight:	470.467 g/mol
DrugBank ID:	-
Buried Surface Area:	58.32 %
Polar Surface area:	103.48 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	4
Rings:	5
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
14.3471	11.1683	14.9402

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