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:	Protease
ID:	O38896_9HIV1
AC:	O38896
Organism:	Human immunodeficiency virus 1
Reign:	Viruses
TaxID:	11676
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:	24.269
Number of residues:	21
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.315	303.750

% Hydrophobic	% Polar
51.11	48.89
According to VolSite

HET Code:	017
Formula:	C27H37N3O7S
Molecular weight:	547.664 g/mol
DrugBank ID:	DB01264
Buried Surface Area:	37.71 %
Polar Surface area:	148.79 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	3
Rings:	4
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	12

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Mass center Coordinates

X	Y	Z
11.7366	-9.50261	22.8336

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