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:	Acetylcholine-binding protein
ID:	ACHP_LYMST
AC:	P58154
Organism:	Lymnaea stagnalis
Reign:	Eukaryota
TaxID:	6523
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
D	50 %
E	50 %

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Ligand binding site composition:

B-Factor:	37.744
Number of residues:	23
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.042	617.625

% Hydrophobic	% Polar
58.47	41.53
According to VolSite

HET Code:	CT4
Formula:	C6H8ClN5O2S
Molecular weight:	249.678 g/mol
DrugBank ID:	-
Buried Surface Area:	73.76 %
Polar Surface area:	123.36 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	2
Rings:	1
Aromatic rings:	1
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
53.5942	16.4796	-30.0782

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