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:	Glutaryl-CoA dehydrogenase, mitochondrial
ID:	GCDH_HUMAN
AC:	Q92947
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	1.3.8.6

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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:	21.756
Number of residues:	50
Including
Standard Amino Acids:	47
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:	FAD
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.133	560.250

% Hydrophobic	% Polar
50.00	50.00
According to VolSite

HET Code:	NBC
Formula:	C25H37N8O19P3S
Molecular weight:	878.590 g/mol
DrugBank ID:	DB03245
Buried Surface Area:	48.75 %
Polar Surface area:	475.5 Å2

Number of
H-Bond Acceptors:	24
H-Bond Donors:	5
Rings:	3
Aromatic rings:	2
Anionic atoms:	5
Cationic atoms:	1
Rule of Five Violation:	2
Rotatable Bonds:	24

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Mass center Coordinates

X	Y	Z
-11.6536	42.389	-43.3679

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