sc-PDB

List of CHEMBLId :

CHEMBL1614768

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:	78 kDa glucose-regulated protein
ID:	GRP78_HUMAN
AC:	P11021
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:	35.883
Number of residues:	32
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.859	1366.875

% Hydrophobic	% Polar
40.25	59.75
According to VolSite

HET Code:	3P1
Formula:	C20H21N7O4
Molecular weight:	423.425 g/mol
DrugBank ID:	-
Buried Surface Area:	59.02 %
Polar Surface area:	164.46 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	5
Rings:	5
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
17.5221	-9.14671	5.35152

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