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 70 kDa protein 1B
ID:	HS71B_HUMAN
AC:	P0DMV9
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:	30.398
Number of residues:	33
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.057	475.875

% Hydrophobic	% Polar
36.88	63.12
According to VolSite

HET Code:	3FD
Formula:	C25H23Cl2N7O4
Molecular weight:	556.401 g/mol
DrugBank ID:	-
Buried Surface Area:	53.64 %
Polar Surface area:	164.36 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	4
Rings:	5
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
1.18174	4.80882	13.9069

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