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 1
ID:	PARP1_CHICK
AC:	P26446
Organism:	Gallus gallus
Reign:	Eukaryota
TaxID:	9031
EC Number:	2.4.2.30

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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:	23.261
Number of residues:	16
Including
Standard Amino Acids:	15
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.737	810.000

% Hydrophobic	% Polar
45.83	54.17
According to VolSite

HET Code:	DHQ
Formula:	C10H11NO
Molecular weight:	161.200 g/mol
DrugBank ID:	DB03722
Buried Surface Area:	71.26 %
Polar Surface area:	29.1 Å2

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

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Mass center Coordinates

X	Y	Z
41.4142	22.9908	21.6615

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