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:	Disintegrin and metalloproteinase domain-containing protein 17
ID:	ADA17_HUMAN
AC:	P78536
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	3.4.24.86

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Chains:

Chain Name:	Percentage of Residues within binding site
B	100 %

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Ligand binding site composition:

B-Factor:	27.751
Number of residues:	28
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
0.060	361.125

% Hydrophobic	% Polar
38.32	61.68
According to VolSite

HET Code:	403
Formula:	C20H24ClN3O4S
Molecular weight:	437.940 g/mol
DrugBank ID:	-
Buried Surface Area:	58.16 %
Polar Surface area:	121.35 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	7

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Mass center Coordinates

X	Y	Z
50.1772	33.3726	40.5691

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