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:	O92139_9HIV1
AC:	O92139
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:	24.333
Number of residues:	23
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.427	334.125

% Hydrophobic	% Polar
52.53	47.47
According to VolSite

HET Code:	AB2
Formula:	C34H41N5O7S
Molecular weight:	663.784 g/mol
DrugBank ID:	-
Buried Surface Area:	32.73 %
Polar Surface area:	164.48 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	3
Rings:	5
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	15

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Mass center Coordinates

X	Y	Z
-10.3066	15.0296	28.3587

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