Receptor
PDB id Resolution Class Description Source Keywords
4LBD 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO THE SYNTHETIC AGONIST BMS961 HOMO SAPIENS NUCLEAR RECEPTOR RETINOIC ACID RECEPTOR ALL-TRANS RETINOIC ACID LIGAND-BINDING DOMAIN COMPLEX HOLO FORM TRANSCRIPTION REGULATION LIGAND-DEPENDENT ACTIVE CONFORMATION STRUCTURAL PROTEOMICS IN EUROPE SPINE STRUCTURAL GENOMICS
Ref.: CONFORMATIONAL ADAPTATION OF AGONISTS TO THE HUMAN NUCLEAR RECEPTOR RAR GAMMA. NAT.STRUCT.BIOL. V. 5 199 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
961 A:1;
Valid;
none;
submit data
399.455 C23 H26 F N O4 CC1(C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2LBD 2.06 Å NON-ENZYME: TRANSCRIPT_TRANSLATE LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO ALL-TRANS RETINOIC ACID HOMO SAPIENS NUCLEAR RECEPTOR RETINOIC ACID RECEPTOR ALL-TRANS RETINOIC ACID LIGAND-BINDING DOMAIN COMPLEX HOLO FORM TRANSCRIPTION REGULATION LIGAND-DEPENDENT ACTIVE CONFORMATION STRUCTURAL PROTEOMICS IN EUROPE SPINE STRUCTURAL GENOMICS
Ref.: CRYSTAL STRUCTURE OF THE RAR-GAMMA LIGAND-BINDING DOMAIN BOUND TO ALL-TRANS RETINOIC ACID. NATURE V. 378 681 1995
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 309 families.
1 2LBD - REA C20 H28 O2 CC1=C(C(CC....
2 4LBD - 961 C23 H26 F N O4 CC1(CCC(c2....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1FCZ Kd = 0.6 nM 156 C24 H26 O3 CC1(CCC(c2....
2 1FD0 Kd ~ 4 nM 254 C26 H27 N O3 CC1(CCC(c2....
3 1FCX Kd = 64 nM 184 C26 H28 O3 CC1(CCC(c2....
4 1EXA - 394 C23 H26 F N O4 CC1(CCC(c2....
5 1EXX - 961 C23 H26 F N O4 CC1(CCC(c2....
6 3LBD - REA C20 H28 O2 CC1=C(C(CC....
7 5M24 - 9CR C20 H28 O2 CC1=C(C(CC....
8 1FCY Kd = 3 nM 564 C26 H26 O3 CC1(CCC(c2....
9 5K13 Ki = 1.8 nM 6Q7 C27 H26 N2 O4 S CC(C)(C)c1....
10 1XAP Kd = 2.5 nM TTB C24 H28 O2 C/C(=Cc1cc....
11 2LBD - REA C20 H28 O2 CC1=C(C(CC....
12 4LBD - 961 C23 H26 F N O4 CC1(CCC(c2....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 3ILZ - B72 C20 H24 O4 Cc1cc(cc(c....
2 1FCZ Kd = 0.6 nM 156 C24 H26 O3 CC1(CCC(c2....
3 1FD0 Kd ~ 4 nM 254 C26 H27 N O3 CC1(CCC(c2....
4 1FCX Kd = 64 nM 184 C26 H28 O3 CC1(CCC(c2....
5 1EXA - 394 C23 H26 F N O4 CC1(CCC(c2....
6 6FX0 - E9T C27 H26 O3 c1cc(cc2c1....
7 1N46 Ki = 0.03 nM PFA C20 H21 N3 O4 Cc1cc(cc(c....
8 2PIN - LEG C15 H20 O CCCCCCc1cc....
9 3GWS - T3 C15 H12 I3 N O4 c1cc(c(cc1....
10 2J4A - OEF C18 H18 Br2 O4 CC(C)c1cc(....
11 2LBD - REA C20 H28 O2 CC1=C(C(CC....
12 4LBD - 961 C23 H26 F N O4 CC1(CCC(c2....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 961; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 961 1 1
2 394 1 1
3 184 0.5 0.6
4 EQN 0.407407 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2LBD; Ligand: REA; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2lbd.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 6RQP OLC 4.36681
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