Receptor
PDB id Resolution Class Description Source Keywords
6U5L 1.75 Å EC: 2.7.11.1 STRUCTURE OF HUMAN ULK4 IN COMPLEX WITH AN INHIBITOR HOMO SAPIENS KINASE PSEUDOKINASE TRANSFERASE TRANSFERASE-TRANSFERASE ICOMPLEX
Ref.: HIGH-RESOLUTION STRUCTURE AND INHIBITION OF THE SCHIZOPHRENIA-LINKED PSEUDOKINASE ULK4. J.AM.CHEM.SOC. V. 142 33 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEG A:306;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
GOL A:304;
A:305;
A:302;
A:303;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
3RJ A:301;
 Valid;
 none;
 submit data
396.448 C22 H20 N8 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6U5L 1.75 Å EC: 2.7.11.1 STRUCTURE OF HUMAN ULK4 IN COMPLEX WITH AN INHIBITOR HOMO SAPIENS KINASE PSEUDOKINASE TRANSFERASE TRANSFERASE-TRANSFERASE ICOMPLEX
Ref.: HIGH-RESOLUTION STRUCTURE AND INHIBITION OF THE SCHIZOPHRENIA-LINKED PSEUDOKINASE ULK4. J.AM.CHEM.SOC. V. 142 33 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 133 families.
1 6U5L - 3RJ C22 H20 N8 c1ccc2c(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 101 families.
1 6U5L - 3RJ C22 H20 N8 c1ccc2c(c1....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 70 families.
1 6QAV - HVH C25 H34 N6 O CN1CCc2cc(....
2 6QAU - 1FV C26 H36 N6 O2 c1cc(cc(c1....
3 6U5L - 3RJ C22 H20 N8 c1ccc2c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3RJ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 3RJ 1 1
2 3RF 0.597826 0.911111
3 IHH 0.55 0.854167
Similar Ligands (3D)
Ligand no: 1; Ligand: 3RJ; Similar ligands found: 2
No: Ligand Similarity coefficient
1 GVD 0.9184
2 1N6 0.8861
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6U5L; Ligand: 3RJ; Similar sites found with APoc: 10
This union binding pocket(no: 1) in the query (biounit: 6u5l.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4FL3 ANP 25.4355
2 2CSN CKI 29.6167
3 4Y93 746 32.7526
4 4UX9 ANP 32.7526
5 3NW7 LGV 34.4948
6 5BVE 4VG 40.0697
7 4CLI 5P8 40.4181
8 5LI9 ACP 45.993
9 1V0O INR 46.3415
10 2YAK OSV 46.6667
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