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:	Soluble acetylcholine receptor
ID:	Q8WSF8_APLCA
AC:	Q8WSF8
Organism:	Aplysia californica
Reign:	Eukaryota
TaxID:	6500
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
C	45 %
D	55 %

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Ligand binding site composition:

B-Factor:	50.909
Number of residues:	22
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.184	972.000

% Hydrophobic	% Polar
43.75	56.25
According to VolSite

HET Code:	C5E
Formula:	C11H15N2O
Molecular weight:	191.250 g/mol
DrugBank ID:	DB09028
Buried Surface Area:	73.54 %
Polar Surface area:	36.92 Å2

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

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Mass center Coordinates

X	Y	Z
8.106	-43.4715	45.4976

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