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
D	53 %
E	47 %

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Ligand binding site composition:

B-Factor:	46.513
Number of residues:	21
Including
Standard Amino Acids:	19
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.891	1026.000

% Hydrophobic	% Polar
37.50	62.50
According to VolSite

HET Code:	QMR
Formula:	C13H14N3
Molecular weight:	212.270 g/mol
DrugBank ID:	DB01273
Buried Surface Area:	76.48 %
Polar Surface area:	42.39 Å2

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

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Mass center Coordinates

X	Y	Z
-2.00293	-29.0239	-44.5907

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