Receptor
PDB id Resolution Class Description Source Keywords
5EHC 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CO-CRYSTAL STRUCTURE OF EIF4E WITH NUCLEOTIDE MIMETIC INHIBI HOMO SAPIENS COMPLEX INHIBITOR TRANSLATION EIF4E
Ref.: DESIGN OF NUCLEOTIDE-MIMETIC AND NON-NUCLEOTIDE INH OF THE TRANSLATION INITIATION FACTOR EIF4E: SYNTHES STRUCTURAL AND FUNCTIONAL CHARACTERISATION. EUR.J.MED.CHEM. V. 124 200 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5NX A:301;
Valid;
none;
submit data
503.873 C21 H20 Cl N6 O7 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EI3 1.71 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CO-CRYSTAL STRUCTURE OF EIF4E WITH NUCLEOTIDE MIMETIC INHIBI HOMO SAPIENS COMPLEX INHIBITOR TRANSLATION EIF4E
Ref.: DESIGN OF NUCLEOTIDE-MIMETIC AND NON-NUCLEOTIDE INH OF THE TRANSLATION INITIATION FACTOR EIF4E: SYNTHES STRUCTURAL AND FUNCTIONAL CHARACTERISATION. EUR.J.MED.CHEM. V. 124 200 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 5EHC - 5NX C21 H20 Cl N6 O7 c1cc(cc(c1....
2 5EI3 Kd = 56.5 uM 5O8 C18 H20 F3 N6 O6 S c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 5EHC - 5NX C21 H20 Cl N6 O7 c1cc(cc(c1....
2 5EI3 Kd = 56.5 uM 5O8 C18 H20 F3 N6 O6 S c1ccc(cc1)....
3 1EJH - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 5EHC - 5NX C21 H20 Cl N6 O7 c1cc(cc(c1....
2 5EI3 Kd = 56.5 uM 5O8 C18 H20 F3 N6 O6 S c1ccc(cc1)....
3 5ZJZ - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
4 5ZJY - MGP C11 H19 N5 O14 P3 C[n+]1cn(c....
5 1EJH - M7G C11 H19 N5 O11 P2 CN1CN(C2=C....
6 5ZK5 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5NX; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 5NX 1 1
2 5O8 0.554545 0.760417
3 MGQ 0.508929 0.793103
4 MGV 0.495652 0.818182
Similar Ligands (3D)
Ligand no: 1; Ligand: 5NX; 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 : 5EI3; Ligand: 5O8; 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: 5ei3.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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