Receptor
PDB id Resolution Class Description Source Keywords
5EE7 2.5 Å EC: 3.2.1.17 CRYSTAL STRUCTURE OF THE HUMAN GLUCAGON RECEPTOR (GCGR) IN C WITH THE ANTAGONIST MK-0893 HOMO SAPIENS, ENTEROBACTERIA PHAGE T4 GPCR SIGNALING PROTEIN 7TM
Ref.: EXTRA-HELICAL BINDING SITE OF A GLUCAGON RECEPTOR ANTAGONIST. NATURE V. 533 274 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLA A:1204;
A:1210;
A:1202;
A:1207;
A:1205;
A:1211;
A:1203;
A:1208;
A:1209;
A:1215;
A:1206;
A:1214;
A:1213;
A:1212;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
282.461 C18 H34 O2 CCCCC...
TLA A:1217;
Invalid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
5MV A:1201;
Valid;
none;
Kd = 0.62 nM
588.48 C32 H27 Cl2 N3 O4 C[C@@...
PE5 A:1216;
Invalid;
none;
submit data
398.489 C18 H38 O9 CCOCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EE7 2.5 Å EC: 3.2.1.17 CRYSTAL STRUCTURE OF THE HUMAN GLUCAGON RECEPTOR (GCGR) IN C WITH THE ANTAGONIST MK-0893 HOMO SAPIENS, ENTEROBACTERIA PHAGE T4 GPCR SIGNALING PROTEIN 7TM
Ref.: EXTRA-HELICAL BINDING SITE OF A GLUCAGON RECEPTOR ANTAGONIST. NATURE V. 533 274 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 5EE7 Kd = 0.62 nM 5MV C32 H27 Cl2 N3 O4 C[C@@H](c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 5EE7 Kd = 0.62 nM 5MV C32 H27 Cl2 N3 O4 C[C@@H](c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 5EE7 Kd = 0.62 nM 5MV C32 H27 Cl2 N3 O4 C[C@@H](c1....
2 6FFI ic50 = 8 nM D8B C15 H13 N O Cc1cccc(n1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5MV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5MV 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 5MV; 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 : 5EE7; Ligand: 5MV; 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: 5ee7.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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