Receptor
PDB id Resolution Class Description Source Keywords
4O95 1.75 Å EC: 1.5.99.12 CRYSTAL STRUCTURE OF MAIZE CYTOKININ OXIDASE/DEHYDROGENASE 4 IN COMPLEX WITH PHENYLUREA INHIBITOR CPPU ZEA MAYS CYTOKININ FLAVOPROTEIN PHENYL-UREA INHIBITOR OXIDOREDUCTA
Ref.: KINETIC AND STRUCTURAL INVESTIGATION OF THE CYTOKIN OXIDASE/DEHYDROGENASE ACTIVE SITE FEBS J. 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:606;
A:604;
A:610;
A:608;
A:611;
A:612;
A:603;
A:607;
A:609;
A:605;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PEG A:615;
A:614;
Invalid;
Invalid;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
245 A:602;
Valid;
none;
submit data
247.68 C12 H10 Cl N3 O c1ccc...
FAD A:601;
Invalid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
GOL A:616;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
DMS A:613;
Invalid;
none;
submit data
78.133 C2 H6 O S CS(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HMR 2 Å EC: 1.5.99.12 CRYSTAL STRUCTURE OF MAIZE CYTOKININ OXIDASE/DEHYDROGENASE 4 IN COMPLEX WITH PHENYLUREA INHIBITOR 3FMTDZ ZEA MAYS FLAVOENZYME CYTOKININ DEGRADATION OXIDASE/DEHYDROGENASE RFOLD OXIDOREDUCTASE
Ref.: NOVEL THIDIAZURON-DERIVED INHIBITORS OF CYTOKININ OXIDASE/DEHYDROGENASE. PLANT MOL.BIOL. V. 92 235 2016
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4OAL - 245 C12 H10 Cl N3 O c1ccc(cc1)....
2 5HMR ic50 = 35 uM FDZ C10 H7 F3 N4 O2 S c1cc(cc(c1....
3 5HHZ - ZME C10 H9 N5 Cc1ccn(c1)....
4 5HQX ic50 = 120 uM EDZ C11 H12 N4 O2 S c1ccc(c(c1....
5 4O95 - 245 C12 H10 Cl N3 O c1ccc(cc1)....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4OAL - 245 C12 H10 Cl N3 O c1ccc(cc1)....
2 5HMR ic50 = 35 uM FDZ C10 H7 F3 N4 O2 S c1cc(cc(c1....
3 5HHZ - ZME C10 H9 N5 Cc1ccn(c1)....
4 5HQX ic50 = 120 uM EDZ C11 H12 N4 O2 S c1ccc(c(c1....
5 4O95 - 245 C12 H10 Cl N3 O c1ccc(cc1)....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4OAL - 245 C12 H10 Cl N3 O c1ccc(cc1)....
2 5HMR ic50 = 35 uM FDZ C10 H7 F3 N4 O2 S c1cc(cc(c1....
3 5HHZ - ZME C10 H9 N5 Cc1ccn(c1)....
4 5HQX ic50 = 120 uM EDZ C11 H12 N4 O2 S c1ccc(c(c1....
5 4O95 - 245 C12 H10 Cl N3 O c1ccc(cc1)....
6 2Q4W - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1W1Q - ZIP C10 H13 N5 CC(=CCNc1c....
8 2QKN ic50 = 18 uM 245 C12 H10 Cl N3 O c1ccc(cc1)....
9 2QPM ic50 = 42 uM 246 C13 H12 Cl N3 O c1ccc(cc1)....
10 3KJM ic50 = 1.5 uM 245 C12 H10 Cl N3 O c1ccc(cc1)....
11 1W1S - EMU C12 H11 N5 c1ccc(cc1)....
12 1W1R - ZEA C10 H13 N5 O C/C(=CCNc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 245; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 245 1 1
2 246 0.571429 0.871795
3 BSU 0.560976 0.705882
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5HMR; Ligand: FDZ; 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: 5hmr.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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