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:	Protein TRANSPORT INHIBITOR RESPONSE 1
ID:	TIR1_ARATH
AC:	Q570C0
Organism:	Arabidopsis thaliana
Reign:	Eukaryota
TaxID:	3702
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	35.144
Number of residues:	26
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.069	570.375

% Hydrophobic	% Polar
42.01	57.99
According to VolSite

HET Code:	2S3
Formula:	C13H14NO2
Molecular weight:	216.256 g/mol
DrugBank ID:	DB06981
Buried Surface Area:	72.75 %
Polar Surface area:	55.92 Å2

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

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Mass center Coordinates

X	Y	Z
17.5092	11.7484	34.3186

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