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:	Serine/threonine-protein kinase pim-1
ID:	PIM1_HUMAN
AC:	P11309
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.11.1

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	39.756
Number of residues:	30
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

---

Cavity properties

Ligandability	Volume (Å3)
1.557	418.500

% Hydrophobic	% Polar
67.74	32.26
According to VolSite

HET Code:	NM8
Formula:	C33H29F3N4O4S
Molecular weight:	634.668 g/mol
DrugBank ID:	-
Buried Surface Area:	56.46 %
Polar Surface area:	123.46 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	2
Rings:	6
Aromatic rings:	4
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	8

---

Mass center Coordinates

X	Y	Z
-19.9169	37.8535	-0.547577

• 2D View
• 3D View