Receptor
PDB id Resolution Class Description Source Keywords
5mwj 2.04 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE ENABLED DISCOVERY OF A STAPLED PEPTIDE INHIBITOR T THE ONCOGENIC TRANSCRIPTIONAL REPRESSOR TLE1 HOMO SAPIENS TRANSDUCIN-LIKE; CONSTRAINED PEPTIDE INHIBITOR; TRANSCRIPTIOCOREPRESSOR TRANSCRIPTION
Ref.: STRUCTURE-ENABLED DISCOVERY OF A STAPLED PEPTIDE IN TO TARGET THE ONCOGENIC TRANSCRIPTIONAL REPRESSOR T CHEMISTRY V. 23 9577 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EBU B:801;
A:802;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.097;
none;
 Kd = 24.7 nM
845 C46 H56 N10 O6 [H]/N...
DMS A:801;
 Invalid;
 none;
 submit data
78.133 C2 H6 O S CS(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MWJ 2.04 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE ENABLED DISCOVERY OF A STAPLED PEPTIDE INHIBITOR T THE ONCOGENIC TRANSCRIPTIONAL REPRESSOR TLE1 HOMO SAPIENS TRANSDUCIN-LIKE; CONSTRAINED PEPTIDE INHIBITOR; TRANSCRIPTIOCOREPRESSOR TRANSCRIPTION
Ref.: STRUCTURE-ENABLED DISCOVERY OF A STAPLED PEPTIDE IN TO TARGET THE ONCOGENIC TRANSCRIPTIONAL REPRESSOR T CHEMISTRY V. 23 9577 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 2CE8 - MET PHE SER ILE ASP ASN ILE LEU ALA n/a n/a
2 2CE9 - MET TRP ARG PRO TRP n/a n/a
3 5MWJ Kd = 24.7 nM EBU C46 H56 N10 O6 [H]/N=C(/N....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 2CE8 - MET PHE SER ILE ASP ASN ILE LEU ALA n/a n/a
2 2CE9 - MET TRP ARG PRO TRP n/a n/a
3 5MWJ Kd = 24.7 nM EBU C46 H56 N10 O6 [H]/N=C(/N....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 2CE8 - MET PHE SER ILE ASP ASN ILE LEU ALA n/a n/a
2 2CE9 - MET TRP ARG PRO TRP n/a n/a
3 5MWJ Kd = 24.7 nM EBU C46 H56 N10 O6 [H]/N=C(/N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EBU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 EBU 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: EBU; Similar ligands found: 1
No: Ligand Similarity coefficient
1 MET TRP ARG PRO TRP 0.8559
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MWJ; Ligand: EBU; 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: 5mwj.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5MWJ; Ligand: EBU; 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: 5mwj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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