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:	Bromodomain protein, putative
ID:	Q8I240_PLAF7
AC:	Q8I240
Organism:	Plasmodium falciparum
Reign:	Eukaryota
TaxID:	36329
EC Number:	/

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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:	48.614
Number of residues:	21
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.125	610.875

% Hydrophobic	% Polar
54.70	45.30
According to VolSite

HET Code:	R78
Formula:	C28H40N7O3
Molecular weight:	522.662 g/mol
DrugBank ID:	-
Buried Surface Area:	47.2 %
Polar Surface area:	104.13 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	3
Rings:	5
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	7

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Mass center Coordinates

X	Y	Z
-19.9721	-44.7108	-69.8657

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