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:	cAMP-dependent protein kinase catalytic subunit alpha
ID:	KAPCA_HUMAN
AC:	P17612
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.11.11

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Chains:

Chain Name:	Percentage of Residues within binding site
A	97 %
B	3 %

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Ligand binding site composition:

B-Factor:	24.389
Number of residues:	37
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.079	955.125

% Hydrophobic	% Polar
43.82	56.18
According to VolSite

HET Code:	SKE
Formula:	C15H12F2N6O3S
Molecular weight:	394.356 g/mol
DrugBank ID:	-
Buried Surface Area:	67.8 %
Polar Surface area:	154.36 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	3
Rings:	3
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
-29.6464	9.81559	6.62241

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