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:	Isoliquiritigenin 2'-O-methyltransferase
ID:	CHOMT_MEDSA
AC:	P93324
Organism:	Medicago sativa
Reign:	Eukaryota
TaxID:	3879
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	33.735
Number of residues:	24
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.294	1471.500

% Hydrophobic	% Polar
62.84	37.16
According to VolSite

HET Code:	HCC
Formula:	C15H12O4
Molecular weight:	256.253 g/mol
DrugBank ID:	DB03285
Buried Surface Area:	53.34 %
Polar Surface area:	77.76 Å2

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

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Mass center Coordinates

X	Y	Z
5.94395	-13.4729	53.5285

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