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:	Envelope glycoprotein gp160
ID:	Q0ED31_9HIV1
AC:	Q0ED31
Organism:	Human immunodeficiency virus 1
Reign:	Viruses
TaxID:	11676
EC Number:	/

---

Chains:

Chain Name:	Percentage of Residues within binding site
C	100 %

---

Ligand binding site composition:

B-Factor:	35.498
Number of residues:	25
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
0.569	286.875

% Hydrophobic	% Polar
49.41	50.59
According to VolSite

HET Code:	0LL
Formula:	C17H16ClFN3O2
Molecular weight:	348.779 g/mol
DrugBank ID:	-
Buried Surface Area:	51.77 %
Polar Surface area:	85.84 Å2

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

---

Mass center Coordinates

X	Y	Z
-9.52175	-33.0127	0.197542

• 2D View
• 3D View