Receptor
PDB id Resolution Class Description Source Keywords
3N7S 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE ECTODOMAIN COMPLEX OF THE CGRP RECE CLASS-B GPCR, REVEALS THE SITE OF DRUG ANTAGONISM HOMO SAPIENS GPCR CLASS B GPCR ANTAGONIST OLCEGEPANT TELCAGEPANT MIGMEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE ECTODOMAIN COMPLEX OF THE RECEPTOR, A CLASS-B GPCR, REVEALS THE SITE OF DRUG ANTAGONISM. STRUCTURE V. 18 1083 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3N6 A:1;
Valid;
none;
Kd < 20 nM
869.645 C38 H47 Br2 N9 O5 c1ccc...
3N7 B:1;
Valid;
none;
submit data
346.389 C18 H18 N8 Cc1cc...
SO4 C:1;
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
3N7S 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE ECTODOMAIN COMPLEX OF THE CGRP RECE CLASS-B GPCR, REVEALS THE SITE OF DRUG ANTAGONISM HOMO SAPIENS GPCR CLASS B GPCR ANTAGONIST OLCEGEPANT TELCAGEPANT MIGMEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE ECTODOMAIN COMPLEX OF THE RECEPTOR, A CLASS-B GPCR, REVEALS THE SITE OF DRUG ANTAGONISM. STRUCTURE V. 18 1083 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 3N7S Kd < 20 nM 3N6 C38 H47 Br2 N9 O5 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 209 families.
1 3N7S Kd < 20 nM 3N6 C38 H47 Br2 N9 O5 c1ccc2c(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 3N7S Kd < 20 nM 3N6 C38 H47 Br2 N9 O5 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3N6; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3N6 1 1
Ligand no: 2; Ligand: 3N7; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3N7 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3N7S; Ligand: 3N6; 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: 3n7s.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3N7S; Ligand: 3N7; 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: 3n7s.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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