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:	Poly [ADP-ribose] polymerase 2
ID:	PARP2_HUMAN
AC:	Q9UGN5
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.4.2.30

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Chains:

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

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Ligand binding site composition:

B-Factor:	48.783
Number of residues:	36
Including
Standard Amino Acids:	36
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.017	850.500

% Hydrophobic	% Polar
44.05	55.95
According to VolSite

HET Code:	UHB
Formula:	C24H28N9O6
Molecular weight:	538.536 g/mol
DrugBank ID:	-
Buried Surface Area:	60.84 %
Polar Surface area:	202.25 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	6
Rings:	6
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	3
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
14.0311	9.45867	10.4709

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