sc-PDB

List of CHEMBLId :

CHEMBL2159210

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:	Tyrosine-protein kinase JAK1
ID:	JAK1_HUMAN
AC:	P23458
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

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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:	32.435
Number of residues:	24
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.616	388.125

% Hydrophobic	% Polar
47.83	52.17
According to VolSite

HET Code:	0Q2
Formula:	C15H18N4O
Molecular weight:	270.330 g/mol
DrugBank ID:	-
Buried Surface Area:	70.44 %
Polar Surface area:	63.3 Å2

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

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Mass center Coordinates

X	Y	Z
6.9137	57.6014	0.8156

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