sc-PDB

List of CHEMBLId :

CHEMBL2414070

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:	Carbonic anhydrase 2
ID:	CAH2_HUMAN
AC:	P00918
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	4.2.1.1

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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:	6.238
Number of residues:	26
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
0.325	310.500

% Hydrophobic	% Polar
43.48	56.52
According to VolSite

HET Code:	X0Q
Formula:	C13H9N5O2S2
Molecular weight:	331.373 g/mol
DrugBank ID:	-
Buried Surface Area:	49.68 %
Polar Surface area:	151.28 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	1
Rings:	3
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
-5.06786	5.90141	13.2395

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