Receptor
PDB id Resolution Class Description Source Keywords
5OKT 2.13 Å EC: 2.7.11.1_2.7.11.26 CRYSTAL STRUCTURE OF HUMAN CASEIN KINASE I DELTA IN COMPLEX HOMO SAPIENS CK1D KINASE-INHIBITOR COMPLEX TRANSFERASE KINASE
Ref.: DISCOVERY OF INHIBITOR OF WNT PRODUCTION 2 (IWP-2) RELATED COMPOUNDS AS SELECTIVE ATP-COMPETITIVE INHI CASEIN KINASE 1 (CK1) DELTA / EPSILON. J. MED. CHEM. V. 61 4087 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 C:307;
C:306;
D:304;
C:303;
A:304;
B:304;
A:302;
D:306;
A:305;
C:304;
D:303;
D:305;
B:302;
A:306;
B:303;
C:305;
D:302;
A:303;
C:302;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
9XK D:301;
A:301;
B:301;
C:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 317 nM
466.599 C22 H18 N4 O2 S3 Cc1cc...
GOL C:308;
D:307;
C:309;
B:305;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ACT A:307;
A:308;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OKT 2.13 Å EC: 2.7.11.1_2.7.11.26 CRYSTAL STRUCTURE OF HUMAN CASEIN KINASE I DELTA IN COMPLEX HOMO SAPIENS CK1D KINASE-INHIBITOR COMPLEX TRANSFERASE KINASE
Ref.: DISCOVERY OF INHIBITOR OF WNT PRODUCTION 2 (IWP-2) RELATED COMPOUNDS AS SELECTIVE ATP-COMPETITIVE INHI CASEIN KINASE 1 (CK1) DELTA / EPSILON. J. MED. CHEM. V. 61 4087 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5OKT ic50 = 317 nM 9XK C22 H18 N4 O2 S3 Cc1ccc2c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5OKT ic50 = 317 nM 9XK C22 H18 N4 O2 S3 Cc1ccc2c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5OKT ic50 = 317 nM 9XK C22 H18 N4 O2 S3 Cc1ccc2c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 9XK; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9XK 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OKT; Ligand: 9XK; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5okt.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5OKT; Ligand: 9XK; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5okt.bio4) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5OKT; Ligand: 9XK; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5okt.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5OKT; Ligand: 9XK; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5okt.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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