Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
REA A:500;
 Valid;
 none;
 submit data
300.435 C20 H28 O2 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 308 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 266 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 - 9CR 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 (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 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 6FX0 - E9T C27 H26 O3 c1cc(cc2c1....
6 1N46 Ki = 0.03 nM PFA C20 H21 N3 O4 Cc1cc(cc(c....
7 2PIN - LEG C15 H20 O CCCCCCc1cc....
8 2LBD - REA C20 H28 O2 CC1=C(C(CC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: REA; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 9CR 1 1
2 REA 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
9 QVM 0.402597 0.724138
Similar Ligands (3D)
Ligand no: 1; Ligand: REA; Similar ligands found: 17
No: Ligand Similarity coefficient
1 4XW 0.9572
2 OXR 0.9413
3 R12 0.9405
4 ETR 0.9379
5 RNE 0.9273
6 R13 0.9166
7 1O8 0.8916
8 2W0 0.8879
9 R4M 0.8869
10 156 0.8733
11 2VR 0.8721
12 29V 0.8699
13 2VP 0.8691
14 9RB 0.8675
15 7CE 0.8637
16 CWC 0.8614
17 B0Z 0.8599
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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