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:	Genome polyprotein
ID:	Q6DLV0_9FLAV
AC:	Q6DLV0
Organism:	Dengue virus 3
Reign:	Viruses
TaxID:	11069
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:	58.988
Number of residues:	24
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.942	968.625

% Hydrophobic	% Polar
39.72	60.28
According to VolSite

HET Code:	VWS
Formula:	C16H10ClNO5S
Molecular weight:	363.772 g/mol
DrugBank ID:	-
Buried Surface Area:	46.63 %
Polar Surface area:	109.89 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	0
Rings:	3
Aromatic rings:	3
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
32.0089	64.7408	15.2442

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