Receptor
PDB id Resolution Class Description Source Keywords
5N7O 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE ETHR2 IN COMPLEX WITH SMART-420 COMPOUND MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) REPRESSOR COMPLEX INHIBITOR TRANSCRIPTION
Ref.: STRUCTURAL ANALYSIS OF THE INTERACTION BETWEEN SPIROISOXAZOLINE SMART-420 AND THE MYCOBACTERIUM TUBERCULOSIS REPRESSOR ETHR2. BIOCHEM. BIOPHYS. RES. V. 487 403 2017 COMMUN.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
69Y B:301;
A:301;
Valid;
Valid;
none;
none;
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340.34 C17 H19 F3 N2 O2 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5N7O 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE ETHR2 IN COMPLEX WITH SMART-420 COMPOUND MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) REPRESSOR COMPLEX INHIBITOR TRANSCRIPTION
Ref.: STRUCTURAL ANALYSIS OF THE INTERACTION BETWEEN SPIROISOXAZOLINE SMART-420 AND THE MYCOBACTERIUM TUBERCULOSIS REPRESSOR ETHR2. BIOCHEM. BIOPHYS. RES. V. 487 403 2017 COMMUN.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 5ICJ - 69Y C17 H19 F3 N2 O2 c1ccc(cc1)....
2 5N7O - 69Y C17 H19 F3 N2 O2 c1ccc(cc1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5ICJ - 69Y C17 H19 F3 N2 O2 c1ccc(cc1)....
2 5N7O - 69Y C17 H19 F3 N2 O2 c1ccc(cc1)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5ICJ - 69Y C17 H19 F3 N2 O2 c1ccc(cc1)....
2 5N7O - 69Y C17 H19 F3 N2 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 69Y; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 69Y 1 1
2 GH5 0.418605 0.78125
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5N7O; Ligand: 69Y; 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: 5n7o.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5N7O; Ligand: 69Y; 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: 5n7o.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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