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:	Cathepsin S
ID:	CATS_HUMAN
AC:	P25774
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	3.4.22.27

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Chains:

Chain Name:	Percentage of Residues within binding site
A	94 %
B	6 %

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Ligand binding site composition:

B-Factor:	18.202
Number of residues:	32
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.278	1154.250

% Hydrophobic	% Polar
52.34	47.66
According to VolSite

HET Code:	MO9
Formula:	C18H21F2N3O7S
Molecular weight:	461.437 g/mol
DrugBank ID:	DB08195
Buried Surface Area:	55.89 %
Polar Surface area:	143.41 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	1
Rings:	2
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	10

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Mass center Coordinates

X	Y	Z
34.0103	23.3578	24.8928

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