Receptor
PDB id Resolution Class Description Source Keywords
1N4H 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CHARACTERIZATION OF LIGANDS FOR THE ORPHAN NUCLEAR RECEPTOR RORBETA RATTUS NORVEGICUS ALPHA-HELICAL SANDWICH PROTEIN-PEPTIDE-LIGAND COMPLEX HORMONE/GROWTH FACTOR COMPLEX
Ref.: ALL-TRANS RETINOIC ACID IS A LIGAND FOR THE ORPHAN NUCLEAR RECEPTOR RORBETA NAT.STRUCT.BIOL. V. 10 820 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
REA A:500;
Valid;
none;
Kd = 280 nM
300.435 C20 H28 O2 CC1=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1N4H 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CHARACTERIZATION OF LIGANDS FOR THE ORPHAN NUCLEAR RECEPTOR RORBETA RATTUS NORVEGICUS ALPHA-HELICAL SANDWICH PROTEIN-PEPTIDE-LIGAND COMPLEX HORMONE/GROWTH FACTOR COMPLEX
Ref.: ALL-TRANS RETINOIC ACID IS A LIGAND FOR THE ORPHAN NUCLEAR RECEPTOR RORBETA NAT.STRUCT.BIOL. V. 10 820 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 1K4W - STE C18 H36 O2 CCCCCCCCCC....
2 1N4H Kd = 280 nM REA C20 H28 O2 CC1=C(C(CC....
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 1K4W - STE C18 H36 O2 CCCCCCCCCC....
2 1N4H Kd = 280 nM REA C20 H28 O2 CC1=C(C(CC....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5NI7 ic50 = 0.41 uM 8Y8 C22 H20 N2 O4 S2 CCS(=O)(=O....
2 5NI8 ic50 = 0.02 uM 8Y2 C26 H24 N2 O4 S2 CCS(=O)(=O....
3 5NI5 ic50 = 0.009 uM 8YB C26 H20 Cl2 N2 O4 S2 CCS(=O)(=O....
4 5NIB ic50 = 0.019 uM 8Y5 C27 H23 N3 O4 S2 CCS(=O)(=O....
5 4WPF ic50 = 0.25 uM 3SN C23 H28 F N3 O3 S CC(=O)N1CC....
6 1K4W - STE C18 H36 O2 CCCCCCCCCC....
7 1N4H Kd = 280 nM REA C20 H28 O2 CC1=C(C(CC....
8 5APH ic50 = 0.06 uM VYI C21 H18 F2 N2 O3 S c1ccc(c(c1....
9 6ESN ic50 = 0.009 uM BWE C24 H22 F N3 O5 S2 CCS(=O)(=O....
10 5APJ ic50 = 0.04 uM 76E C23 H17 Cl F4 N2 O4 S c1cc(cc(c1....
11 3KYT - HC2 C27 H46 O2 CC(C)CCC[C....
12 5G44 - SWX C11 H10 N2 O c1cc(ccc1C....
13 3L0L - HC3 C27 H46 O2 C[C@H](CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: REA; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 REA 1 1
2 9CR 1 1
3 BCR 0.724138 0.730769
4 RET 0.704918 0.84
5 AZE 0.7 0.76
6 RTL 0.671875 0.758621
7 ECH 0.589041 0.724138
8 45D 0.410959 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1N4H; 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: 1n4h.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback