Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5O8 A:301;
Valid;
none;
Kd = 56.5 uM
505.448 C18 H20 F3 N6 O6 S c1ccc...
SO4 A:302;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
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 257 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 222 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 (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 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)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5O8; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 5O8 1 1
2 MGQ 0.684211 0.776596
3 MGV 0.567308 0.8
4 5NX 0.554545 0.760417
5 MG7 0.416667 0.72043
6 G7M 0.4 0.729167
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EI3; Ligand: 5O8; Similar sites found: 4
This union binding pocket(no: 1) in the query (biounit: 5ei3.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1F06 2NP 0.04273 0.409 3.68664
2 1F06 NDP 0.04273 0.409 3.68664
3 5IXJ THR 0.04107 0.40257 3.68664
4 5KOD IAC 0.02111 0.40484 5.99078
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