Receptor
PDB id Resolution Class Description Source Keywords
5KO1 2.16 Å EC: 2.-.-.- PSEUDOKINASE DOMAIN OF MLKL BOUND TO COMPOUND 4. HOMO SAPIENS PSEUDOKINASE DOMAIN MLKL TYPE1 INHIBITOR MEMBRANE PROTEINS-COMPLEX
Ref.: ATP-COMPETITIVE MLKL BINDERS HAVE NO FUNCTIONAL IMP NECROPTOSIS. PLOS ONE V. 11 65983 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6UY A:501;
 Valid;
 none;
 Kd = 230 nM
366.346 C19 H15 F N4 O3 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KO1 2.16 Å EC: 2.-.-.- PSEUDOKINASE DOMAIN OF MLKL BOUND TO COMPOUND 4. HOMO SAPIENS PSEUDOKINASE DOMAIN MLKL TYPE1 INHIBITOR MEMBRANE PROTEINS-COMPLEX
Ref.: ATP-COMPETITIVE MLKL BINDERS HAVE NO FUNCTIONAL IMP NECROPTOSIS. PLOS ONE V. 11 65983 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 5KO1 Kd = 230 nM 6UY C19 H15 F N4 O3 c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 5KO1 Kd = 230 nM 6UY C19 H15 F N4 O3 c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 5KO1 Kd = 230 nM 6UY C19 H15 F N4 O3 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6UY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6UY 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 6UY; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KO1; Ligand: 6UY; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 5ko1.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2XVD AS6 39.576
2 2HK5 1BM 40.3704
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