Receptor
PDB id Resolution Class Description Source Keywords
3KPE 1.47 Å EC: 3.-.-.- SOLUTION STRUCTURE OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV)S BUNDLE COMPLEXED WITH TMC353121, A SMALL-MOLEUCULE INHIBITO HUMAN RESPIRATORY SYNCYTIAL VIRUS PEPTIDE-SMALL-MOLECULE COMPLEX ALPHA HELIX COILED-COIL ENPROTEIN FUSION PROTEIN GLYCOPROTEIN HOST CELL MEMBRANE MEMBRANE LIPOPROTEIN MEMBRANE PALMITATE TRANSMEMBRANE VIRAL PROTEIN
Ref.: BINDING OF A POTENT SMALL-MOLECULE INHIBITOR OF SIX BUNDLE FORMATION REQUIRES INTERACTIONS WITH BOTH HEPTAD-REPEATS OF THE RSV FUSION PROTEIN. PROC.NATL.ACAD.SCI.USA V. 107 308 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PG4 A:210;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
TM3 A:1;
Valid;
none;
submit data
558.714 C32 H42 N6 O3 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KPE 1.47 Å EC: 3.-.-.- SOLUTION STRUCTURE OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV)S BUNDLE COMPLEXED WITH TMC353121, A SMALL-MOLEUCULE INHIBITO HUMAN RESPIRATORY SYNCYTIAL VIRUS PEPTIDE-SMALL-MOLECULE COMPLEX ALPHA HELIX COILED-COIL ENPROTEIN FUSION PROTEIN GLYCOPROTEIN HOST CELL MEMBRANE MEMBRANE LIPOPROTEIN MEMBRANE PALMITATE TRANSMEMBRANE VIRAL PROTEIN
Ref.: BINDING OF A POTENT SMALL-MOLECULE INHIBITOR OF SIX BUNDLE FORMATION REQUIRES INTERACTIONS WITH BOTH HEPTAD-REPEATS OF THE RSV FUSION PROTEIN. PROC.NATL.ACAD.SCI.USA V. 107 308 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 3KPE - TM3 C32 H42 N6 O3 Cc1ccc(c(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 3KPE - TM3 C32 H42 N6 O3 Cc1ccc(c(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 3KPE - TM3 C32 H42 N6 O3 Cc1ccc(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TM3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TM3 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TM3; 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 : 3KPE; Ligand: TM3; 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: 3kpe.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3KPE; Ligand: TM3; 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: 3kpe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3KPE; Ligand: TM3; 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: 3kpe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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