sc-PDB

List of CHEMBLId :

CHEMBL1089125

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

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	27.796
Number of residues:	33
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.769	867.375

% Hydrophobic	% Polar
40.08	59.92
According to VolSite

HET Code:	A92
Formula:	C19H20FN4O
Molecular weight:	339.387 g/mol
DrugBank ID:	-
Buried Surface Area:	66.22 %
Polar Surface area:	88.38 Å2

Number of
H-Bond Acceptors:	2
H-Bond Donors:	3
Rings:	4
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	3

---

Mass center Coordinates

X	Y	Z
26.3651	11.222	27.0235

• 2D View
• 3D View