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:	Pancreatic alpha-amylase
ID:	AMYP_HUMAN
AC:	P04746
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

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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:	21.030
Number of residues:	19
Including
Standard Amino Acids:	18
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.585	583.875

% Hydrophobic	% Polar
39.31	60.69
According to VolSite

HET Code:	GOX
Formula:	C6H13N2O5
Molecular weight:	193.178 g/mol
DrugBank ID:	DB02376
Buried Surface Area:	47.6 %
Polar Surface area:	127.15 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	7
Rings:	1
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	1

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Mass center Coordinates

X	Y	Z
4.24185	14.4106	41.5127

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