Receptor
PDB id Resolution Class Description Source Keywords
4DM6 1.9 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF RARB LBD HOMODIMER IN COMPLEX WITH TTNP HOMO SAPIENS TRANSCRIPTION NUCLEAR RECEPTOR RETINOIC ACID ALPHA HELICASANDWICH TRANSCRIPTION REGULATOR RETINOIC ACID BINDING NCYTOPLASM TRANSCRIPTION-PROTEIN BINDING COMPLEX
Ref.: STRUCTURAL BASIS FOR A MOLECULAR ALLOSTERIC CONTROL MECHANISM OF COFACTOR BINDING TO NUCLEAR RECEPTORS. PROC.NATL.ACAD.SCI.USA V. 109 E588 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TTB A:501;
B:1501;
Valid;
Valid;
none;
none;
submit data
348.478 C24 H28 O2 C/C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DM8 2.3 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF RARB LBD IN COMPLEX WITH 9CIS RETINOIC HOMO SAPIENS NUCLEAR RECEPTOR RARB 9CIS RETINOIC ACID ALPHA HELICAL SATRANSCRIPTION FACTOR RETINOIC ACID TRANSCRIPTION-PROTEIN COMPLEX
Ref.: STRUCTURAL BASIS FOR A MOLECULAR ALLOSTERIC CONTROL MECHANISM OF COFACTOR BINDING TO NUCLEAR RECEPTORS. PROC.NATL.ACAD.SCI.USA V. 109 E588 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 47 families.
1 4DM8 - REA C20 H28 O2 CC1=C(C(CC....
2 4DM6 - TTB C24 H28 O2 C/C(=Cc1cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 4DM8 - REA C20 H28 O2 CC1=C(C(CC....
2 4DM6 - TTB C24 H28 O2 C/C(=Cc1cc....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3KMR - EQN C22 H25 N O3 CC1(CCC(c2....
2 6SSQ - 754 C26 H36 O3 CCCOc1cc2c....
3 4DM8 - REA C20 H28 O2 CC1=C(C(CC....
4 4DM6 - TTB C24 H28 O2 C/C(=Cc1cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TTB; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 TTB 1 1
2 UV8 0.606061 0.84375
3 156 0.587302 0.833333
4 R13 0.521739 0.962963
5 EQN 0.515152 0.615385
6 564 0.470588 0.8
7 254 0.464789 0.615385
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DM8; Ligand: REA; 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: 4dm8.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4DM8; Ligand: REA; 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: 4dm8.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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