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:	Heat shock protein HSP 90-alpha
ID:	HS90A_HUMAN
AC:	P07900
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

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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:	27.426
Number of residues:	26
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.361	455.625

% Hydrophobic	% Polar
42.22	57.78
According to VolSite

HET Code:	XQ0
Formula:	C8H8N2O
Molecular weight:	148.162 g/mol
DrugBank ID:	-
Buried Surface Area:	68.4 %
Polar Surface area:	48.91 Å2

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

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Mass center Coordinates

X	Y	Z
31.6467	11.3149	23.7619

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