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:	Sodium-dependent dopamine transporter
ID:	DAT_DROME
AC:	Q7K4Y6
Organism:	Drosophila melanogaster
Reign:	Eukaryota
TaxID:	7227
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	100 %

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Ligand binding site composition:

B-Factor:	67.661
Number of residues:	26
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.165	1326.375

% Hydrophobic	% Polar
50.89	49.11
According to VolSite

HET Code:	LDP
Formula:	C8H12NO2
Molecular weight:	154.186 g/mol
DrugBank ID:	DB00988
Buried Surface Area:	72.38 %
Polar Surface area:	68.1 Å2

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

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Mass center Coordinates

X	Y	Z
-10.7389	3.75618	-25.2801

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