sc-PDB

List of CHEMBLId :

CHEMBL20

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 1
ID:	CAH1_HUMAN
AC:	P00915
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	96 %
B	4 %

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Ligand binding site composition:

B-Factor:	34.379
Number of residues:	25
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
0.244	2473.875

% Hydrophobic	% Polar
47.20	52.80
According to VolSite

HET Code:	AZM
Formula:	C4H6N4O3S2
Molecular weight:	222.245 g/mol
DrugBank ID:	DB00819
Buried Surface Area:	74.57 %
Polar Surface area:	151.66 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	2
Rings:	1
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
33.8232	-1.51069	8.13531

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