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:	A disintegrin and metalloproteinase with thrombospondin motifs 1
ID:	ATS1_HUMAN
AC:	Q9UHI8
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	3.4.24

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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:	40.590
Number of residues:	25
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
1.468	1198.125

% Hydrophobic	% Polar
48.45	51.55
According to VolSite

HET Code:	097
Formula:	C15H29N3O5
Molecular weight:	331.408 g/mol
DrugBank ID:	DB00786
Buried Surface Area:	54.06 %
Polar Surface area:	127.76 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	5
Rings:	0
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
8.4167	-11.4729	11.5016

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