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:	Acetylcholinesterase
ID:	ACES_MOUSE
AC:	P21836
Organism:	Mus musculus
Reign:	Eukaryota
TaxID:	10090
EC Number:	3.1.1.7

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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:	37.462
Number of residues:	33
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.929	664.875

% Hydrophobic	% Polar
56.35	43.65
According to VolSite

HET Code:	HBP
Formula:	C19H26N4O2
Molecular weight:	342.435 g/mol
DrugBank ID:	-
Buried Surface Area:	61.92 %
Polar Surface area:	72.94 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	2
Rings:	2
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	2
Rule of Five Violation:	0
Rotatable Bonds:	10

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Mass center Coordinates

X	Y	Z
32.2329	22.6256	10.408

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