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_HUMAN
AC:	P09874
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
B	100 %

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Ligand binding site composition:

B-Factor:	39.723
Number of residues:	16
Including
Standard Amino Acids:	16
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.830	904.500

% Hydrophobic	% Polar
43.28	56.72
According to VolSite

HET Code:	MEW
Formula:	C9H8N2O
Molecular weight:	160.173 g/mol
DrugBank ID:	-
Buried Surface Area:	74.13 %
Polar Surface area:	41.46 Å2

Number of
H-Bond Acceptors:	2
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
-27.4957	13.3757	61.0771

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