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:	Cell division control protein 42 homolog
ID:	CDC42_HUMAN
AC:	P60953
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

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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:	65.344
Number of residues:	29
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.433	506.250

% Hydrophobic	% Polar
41.33	58.67
According to VolSite

HET Code:	GNH
Formula:	C10H14N6O10P2
Molecular weight:	440.200 g/mol
DrugBank ID:	DB02623
Buried Surface Area:	57.59 %
Polar Surface area:	279.34 Å2

Number of
H-Bond Acceptors:	13
H-Bond Donors:	5
Rings:	3
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
103.85	31.1987	-1.62089

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