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
B	58 %
C	42 %

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Ligand binding site composition:

B-Factor:	24.399
Number of residues:	27
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.990	1272.375

% Hydrophobic	% Polar
35.54	64.46
According to VolSite

HET Code:	SY9
Formula:	C21H23N2O2
Molecular weight:	335.420 g/mol
DrugBank ID:	-
Buried Surface Area:	59.83 %
Polar Surface area:	33.98 Å2

Number of
H-Bond Acceptors:	2
H-Bond Donors:	1
Rings:	7
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	0

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Mass center Coordinates

X	Y	Z
-61.0764	-3.57916	6.86816

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