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:	Achbp
ID:	I6L8L2_CAPTE
AC:	I6L8L2
Organism:	Capitella teleta
Reign:	Eukaryota
TaxID:	283909
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	58 %
B	42 %

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Ligand binding site composition:

B-Factor:	42.106
Number of residues:	25
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.758	681.750

% Hydrophobic	% Polar
45.05	54.95
According to VolSite

HET Code:	SW4
Formula:	C14H21N2O2
Molecular weight:	249.329 g/mol
DrugBank ID:	-
Buried Surface Area:	70.27 %
Polar Surface area:	58.96 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	2
Rings:	3
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
16.0133	27.4347	19.2214

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