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:	Casein kinase I isoform delta
ID:	KC1D_HUMAN
AC:	P48730
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.11.1

---

Chains:

Chain Name:	Percentage of Residues within binding site
A	22 %
B	78 %

---

Ligand binding site composition:

B-Factor:	24.342
Number of residues:	37
Including
Standard Amino Acids:	36
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
1.109	614.250

% Hydrophobic	% Polar
59.89	40.11
According to VolSite

HET Code:	15G
Formula:	C20H17F2N3O3
Molecular weight:	385.364 g/mol
DrugBank ID:	-
Buried Surface Area:	65.4 %
Polar Surface area:	76.24 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	2
Rings:	4
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

---

Mass center Coordinates

X	Y	Z
0.729357	4.06746	-3.53457

• 2D View
• 3D View