Receptor
PDB id Resolution Class Description Source Keywords
5MOB 1.67 Å NON-ENZYME: OTHER ABA RECEPTOR FROM TOMATO, SLPYL1 SOLANUM LYCOPERSICUM ABA RECEPTOR SIGNALING STRESS SIGNALING PROTEIN
Ref.: STRUCTURE OF LIGAND-BOUND INTERMEDIATES OF CROP ABA RECEPTORS HIGHLIGHTS PP2C AS NECESSARY ABA CO-RECEP MOL PLANT V. 10 1250 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A8S A:301;
Valid;
none;
Kd = 90 uM
264.317 C15 H20 O4 CC1=C...
SO4 A:302;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MOB 1.67 Å NON-ENZYME: OTHER ABA RECEPTOR FROM TOMATO, SLPYL1 SOLANUM LYCOPERSICUM ABA RECEPTOR SIGNALING STRESS SIGNALING PROTEIN
Ref.: STRUCTURE OF LIGAND-BOUND INTERMEDIATES OF CROP ABA RECEPTORS HIGHLIGHTS PP2C AS NECESSARY ABA CO-RECEP MOL PLANT V. 10 1250 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5MOB Kd = 90 uM A8S C15 H20 O4 CC1=CC(=O)....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5MOB Kd = 90 uM A8S C15 H20 O4 CC1=CC(=O)....
2 3WG8 - 6AS C21 H32 O4 S CCCCCCSC1=....
3 3K3K - A8S C15 H20 O4 CC1=CC(=O)....
4 3K90 - A8S C15 H20 O4 CC1=CC(=O)....
5 5YGV - 8V6 C25 H30 O4 Cc1ccc(cc1....
6 3NJO - P2M C16 H14 N2 O2 S c1ccc2c(c1....
7 5UR5 - 8KP C18 H20 N2 O2 S CCc1cc(cc(....
8 5UR6 ic50 = 87 nM 8KM C18 H18 N2 O2 S Cc1ccc(cc1....
9 3NEF - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
10 3JRS Kd = 52 uM A8S C15 H20 O4 CC1=CC(=O)....
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3KDI - A8S C15 H20 O4 CC1=CC(=O)....
2 3NR4 - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
3 5JNN ic50 = 4504 nM 6LM C15 H22 O5 C[C@@H](CC....
4 3NS2 - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
5 3NMP - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
6 3NMH - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
7 3NJ0 - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
8 3KB0 - A8S C15 H20 O4 CC1=CC(=O)....
9 3NJ1 - P2M C16 H14 N2 O2 S c1ccc2c(c1....
10 5MOB Kd = 90 uM A8S C15 H20 O4 CC1=CC(=O)....
11 3W9R Kd = 0.66 uM A8S C15 H20 O4 CC1=CC(=O)....
12 3WG8 - 6AS C21 H32 O4 S CCCCCCSC1=....
13 3K3K - A8S C15 H20 O4 CC1=CC(=O)....
14 3K90 - A8S C15 H20 O4 CC1=CC(=O)....
15 5YGV - 8V6 C25 H30 O4 Cc1ccc(cc1....
16 3NJO - P2M C16 H14 N2 O2 S c1ccc2c(c1....
17 5UR5 - 8KP C18 H20 N2 O2 S CCc1cc(cc(....
18 5UR6 ic50 = 87 nM 8KM C18 H18 N2 O2 S Cc1ccc(cc1....
19 3NEF - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
20 3JRS Kd = 52 uM A8S C15 H20 O4 CC1=CC(=O)....
21 4DSC - A8S C15 H20 O4 CC1=CC(=O)....
22 3OJI - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A8S; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 A8S 1 1
2 6AS 0.434211 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MOB; Ligand: A8S; 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: 5mob.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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