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	75 %
D	25 %

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Ligand binding site composition:

B-Factor:	46.722
Number of residues:	18
Including
Standard Amino Acids:	16
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.257	1100.250

% Hydrophobic	% Polar
40.80	59.20
According to VolSite

HET Code:	083
Formula:	C21H19N6
Molecular weight:	355.416 g/mol
DrugBank ID:	-
Buried Surface Area:	27.75 %
Polar Surface area:	91.55 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	2
Rings:	4
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
16.5244	-40.6342	15.7889

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