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:	Mitogen-activated protein kinase kinase kinase 5
ID:	M3K5_HUMAN
AC:	Q99683
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.11.25

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Chains:

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

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Ligand binding site composition:

B-Factor:	70.378
Number of residues:	33
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.409	864.000

% Hydrophobic	% Polar
56.64	43.36
According to VolSite

HET Code:	IE8
Formula:	C24H21N4O2
Molecular weight:	397.449 g/mol
DrugBank ID:	-
Buried Surface Area:	71.76 %
Polar Surface area:	91.58 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	2
Rings:	5
Aromatic rings:	5
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
-49.4242	12.5597	-7.3576

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