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:	Death-associated protein kinase 2
ID:	DAPK2_HUMAN
AC:	Q9UIK4
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

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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:	45.724
Number of residues:	23
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.069	1231.875

% Hydrophobic	% Polar
42.19	57.81
According to VolSite

HET Code:	IQU
Formula:	C11H14N3O2S
Molecular weight:	252.313 g/mol
DrugBank ID:	-
Buried Surface Area:	51.09 %
Polar Surface area:	95.07 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	2
Rings:	2
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
-11.0042	14.0678	32.7591

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