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:	Hypoxia-inducible factor 1-alpha inhibitor
ID:	HIF1N_HUMAN
AC:	Q9NWT6
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	1.14.11.30

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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:	48.270
Number of residues:	22
Including
Standard Amino Acids:	19
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:
Metals:	FE

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Cavity properties

Ligandability	Volume (Å3)
0.328	685.125

% Hydrophobic	% Polar
37.93	62.07
According to VolSite

HET Code:	8XQ
Formula:	C10H6NO3
Molecular weight:	188.160 g/mol
DrugBank ID:	-
Buried Surface Area:	75.59 %
Polar Surface area:	73.25 Å2

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

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Mass center Coordinates

X	Y	Z
-25.5792	20.2756	-7.36514

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