Receptor
PDB id Resolution Class Description Source Keywords
5DJ5 2.4 Å EC: 3.1.-.- CRYSTAL STRUCTURE OF RICE DWARF14 IN COMPLEX WITH SYNTHETIC STRIGOLACTONE GR24 ORYZA SATIVA SUBSP. JAPONICA ALPHA/BETA HYDROLASE
Ref.: DESTABILIZATION OF STRIGOLACTONE RECEPTOR DWARF14 B OF LIGAND AND E3-LIGASE SIGNALING EFFECTOR DWARF3. CELL RES. V. 25 1219 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GR2 A:800;
 Valid;
 none;
 ic50 = 2.5 uM
298.29 C17 H14 O5 CC1=C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6AP8 1.27 Å EC: 3.1.-.- CRYSTAL STRUCTURE OF RICE D14 BOUND TO 2-(2-METHYL-3-NITROAN BENZOIC ACID ORYZA SATIVA SUBSP. JAPONICA ALPHA/BETA HYDROLASE PLANT PROTEIN
Ref.: INHIBITION OF STRIGOLACTONE RECEPTORS BYN-PHENYLANT ACID DERIVATIVES: STRUCTURAL AND FUNCTIONAL INSIGHT J. BIOL. CHEM. V. 293 6530 2018
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 6AP8 Kd = 8 uM BNY C14 H12 N2 O4 Cc1c(cccc1....
2 3WIO - H3M C5 H6 O3 CC1=C[C@@H....
3 5YZ7 - 94X C12 H13 Br O3 C/C(=C/[C@....
4 5DJ5 ic50 = 2.5 uM GR2 C17 H14 O5 CC1=C[C@@H....
5 6BRT - H3M C5 H6 O3 CC1=C[C@@H....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 6O5J - LM7 C14 H9 N3 O5 c1ccc2c(c1....
2 6AP6 Kd = 4.3 uM TLF C14 H12 Cl N O2 Cc1c(cccc1....
3 6AP7 Kd = 4.6 uM BNY C14 H12 N2 O4 Cc1c(cccc1....
4 6AP8 Kd = 8 uM BNY C14 H12 N2 O4 Cc1c(cccc1....
5 3WIO - H3M C5 H6 O3 CC1=C[C@@H....
6 5YZ7 - 94X C12 H13 Br O3 C/C(=C/[C@....
7 5DJ5 ic50 = 2.5 uM GR2 C17 H14 O5 CC1=C[C@@H....
8 6BRT - H3M C5 H6 O3 CC1=C[C@@H....
9 4JYM - KKN C8 H6 O3 CC1=C2C=CO....
10 5DNU Kd = 77.6 uM KKN C8 H6 O3 CC1=C2C=CO....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 6O5J - LM7 C14 H9 N3 O5 c1ccc2c(c1....
2 6AP6 Kd = 4.3 uM TLF C14 H12 Cl N O2 Cc1c(cccc1....
3 6AP7 Kd = 4.6 uM BNY C14 H12 N2 O4 Cc1c(cccc1....
4 6AP8 Kd = 8 uM BNY C14 H12 N2 O4 Cc1c(cccc1....
5 3WIO - H3M C5 H6 O3 CC1=C[C@@H....
6 5YZ7 - 94X C12 H13 Br O3 C/C(=C/[C@....
7 5DJ5 ic50 = 2.5 uM GR2 C17 H14 O5 CC1=C[C@@H....
8 6BRT - H3M C5 H6 O3 CC1=C[C@@H....
9 4JYM - KKN C8 H6 O3 CC1=C2C=CO....
10 5DNU Kd = 77.6 uM KKN C8 H6 O3 CC1=C2C=CO....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GR2; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GR2 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: GR2; Similar ligands found: 2
No: Ligand Similarity coefficient
1 U2S 0.8860
2 U1S 0.8859
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6AP8; Ligand: BNY; 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: 6ap8.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6AP8; Ligand: BNY; 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: 6ap8.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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