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:	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:	8.227
Number of residues:	23
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
0.390	303.750

% Hydrophobic	% Polar
42.22	57.78
According to VolSite

HET Code:	SAB
Formula:	C11H18N3O3S
Molecular weight:	272.344 g/mol
DrugBank ID:	DB03697
Buried Surface Area:	55.73 %
Polar Surface area:	125.27 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	3
Rings:	1
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
-4.10717	4.54906	15.1068

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