Receptor
PDB id Resolution Class Description Source Keywords
4MG7 2.15 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF HERA-LBD (Y537S) IN COMPLEX WITH FERUTI HOMO SAPIENS LIGAND-BINDING DOMAIN OF NUCLEAR HORMONE RECEPTOR HORMONE R
Ref.: STRUCTURAL AND FUNCTIONAL PROFILING OF ENVIRONMENTA FOR ESTROGEN RECEPTORS. ENVIRON.HEALTH PERSPECT. V. 122 1306 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
27H A:601;
B:601;
Valid;
Valid;
none;
none;
submit data
358.471 C22 H30 O4 CC1=C...
EDO A:602;
B:602;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MG7 2.15 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF HERA-LBD (Y537S) IN COMPLEX WITH FERUTI HOMO SAPIENS LIGAND-BINDING DOMAIN OF NUCLEAR HORMONE RECEPTOR HORMONE R
Ref.: STRUCTURAL AND FUNCTIONAL PROFILING OF ENVIRONMENTA FOR ESTROGEN RECEPTORS. ENVIRON.HEALTH PERSPECT. V. 122 1306 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 4MG7 - 27H C22 H30 O4 CC1=CC[C@]....
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 4MG7 - 27H C22 H30 O4 CC1=CC[C@]....
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 4MG7 - 27H C22 H30 O4 CC1=CC[C@]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 27H; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 27H 1 1
2 FEZ 0.449438 0.853659
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MG7; Ligand: 27H; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 4mg7.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2A3I C0R 32.4111
2 5HCV 60R 35.6863
Pocket No.: 2; Query (leader) PDB : 4MG7; Ligand: 27H; 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: 4mg7.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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