Receptor
PDB id Resolution Class Description Source Keywords
5WGQ 2.3 Å NON-ENZYME: SIGNAL_HORMONE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WIT ESTRADIOL AND SRC2-BCP1 HOMO SAPIENS BREAST CANCER STAPLED PEPTIDES SYNTHETIC PEPTIDES HORMONETRANSCRIPTION TRANSCRIPTION-TRANSCRIPTION INHIBITOR COMPLE
Ref.: A "CROSS-STITCHED" PEPTIDE WITH IMPROVED HELICITY A PROTEOLYTIC STABILITY. ORG. BIOMOL. CHEM. V. 16 3702 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EST B:601;
A:601;
Valid;
Valid;
none;
none;
submit data
272.382 C18 H24 O2 C[C@]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WGQ 2.3 Å NON-ENZYME: SIGNAL_HORMONE ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WIT ESTRADIOL AND SRC2-BCP1 HOMO SAPIENS BREAST CANCER STAPLED PEPTIDES SYNTHETIC PEPTIDES HORMONETRANSCRIPTION TRANSCRIPTION-TRANSCRIPTION INHIBITOR COMPLE
Ref.: A "CROSS-STITCHED" PEPTIDE WITH IMPROVED HELICITY A PROTEOLYTIC STABILITY. ORG. BIOMOL. CHEM. V. 16 3702 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 5WGQ - EST C18 H24 O2 C[C@]12CC[....
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 5WGQ - EST C18 H24 O2 C[C@]12CC[....
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 5WGQ - EST C18 H24 O2 C[C@]12CC[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EST; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 EST 1 1
2 ECS 0.626866 0.916667
3 ESL 0.614286 0.916667
4 ESZ 0.597222 0.837838
5 ESM 0.597222 0.868421
6 6WV 0.582278 0.738095
7 6WW 0.582278 0.608696
8 J3Z 0.56338 0.882353
9 HE7 0.547619 0.846154
10 3WF 0.546667 0.942857
11 6WM 0.518072 0.885714
12 7FQ 0.505882 0.794872
13 E2B 0.467391 0.688889
14 7EE 0.465909 0.75
15 6WN 0.45977 0.763158
16 7FR 0.454545 0.622222
17 EED 0.451219 0.785714
18 EZT 0.412371 0.825
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5WGQ; Ligand: EST; 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: 5wgq.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5WGQ; Ligand: EST; 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: 5wgq.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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