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:	NmrA-like family domain-containing protein 1
ID:	NMRL1_HUMAN
AC:	Q9HBL8
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:	13.329
Number of residues:	22
Including
Standard Amino Acids:	20
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:	NAP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.376	300.375

% Hydrophobic	% Polar
60.67	39.33
According to VolSite

HET Code:	NFL
Formula:	C13H8F3N2O2
Molecular weight:	281.210 g/mol
DrugBank ID:	DB04552
Buried Surface Area:	66.38 %
Polar Surface area:	65.05 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	1
Rings:	2
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
71.6818	16.7576	86.5134

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