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:	Uridine phosphorylase 1
ID:	UPP1_HUMAN
AC:	Q16831
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
C	12 %
D	88 %

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Ligand binding site composition:

B-Factor:	26.004
Number of residues:	29
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.707	1080.000

% Hydrophobic	% Polar
38.75	61.25
According to VolSite

HET Code:	BAU
Formula:	C14H16N2O4
Molecular weight:	276.288 g/mol
DrugBank ID:	DB07437
Buried Surface Area:	71.35 %
Polar Surface area:	78.87 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	2
Rings:	2
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
16.083	27.6971	-56.2311

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