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:	Adenylate cyclase type 2	Adenylate cyclase type 5
ID:	ADCY2_RAT	ADCY5_CANLF
AC:	P26769	P30803
Organism:	Rattus norvegicus	Canis lupus familiaris
Reign:	Eukaryota
TaxID:	10116	9615
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	54 %
B	46 %

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Ligand binding site composition:

B-Factor:	27.984
Number of residues:	30
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.042	648.000

% Hydrophobic	% Polar
45.31	54.69
According to VolSite

HET Code:	FOK
Formula:	C22H34O7
Molecular weight:	410.501 g/mol
DrugBank ID:	DB02587
Buried Surface Area:	62.67 %
Polar Surface area:	113.29 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	3
Rings:	3
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
43.0953	-11.1056	50.2358

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