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:	Polyprotein
ID:	Q99AU2_9HEPC
AC:	Q99AU2
Organism:	Hepatitis C virus subtype 1b
Reign:	Viruses
TaxID:	31647
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:	25.543
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.629	371.250

% Hydrophobic	% Polar
59.09	40.91
According to VolSite

HET Code:	CCT
Formula:	C19H13N2O4S2
Molecular weight:	397.448 g/mol
DrugBank ID:	DB07547
Buried Surface Area:	59.54 %
Polar Surface area:	146.71 Å2

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

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Mass center Coordinates

X	Y	Z
-9.31696	32.6825	-29.6856

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