Receptor
PDB id Resolution Class Description Source Keywords
6a16 2 Å EC: 1.14.-.- CRYSTAL STRUCTURE OF CYP90B1 IN COMPLEX WITH UNICONAZOLE ARABIDOPSIS THALIANA CYTOCHROME P450 PHYTOHORMONE BRASSINOSTEROID UNICONAZOLEOXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHTS INTO A KEY STEP OF BRASSINOSTER BIOSYNTHESIS AND ITS INHIBITION. NAT.PLANTS V. 5 589 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:604;
A:603;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
CL A:606;
A:605;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
UCZ A:602;
 Valid;
 none;
 Ki = 6.9 uM
291.776 C15 H18 Cl N3 O CC(C)...
HEM A:601;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6A17 2.3 Å EC: 1.14.-.- CRYSTAL STRUCTURE OF CYP90B1 IN COMPLEX WITH BRASSINAZOLE ARABIDOPSIS THALIANA CYTOCHROME P450 PHYTOHORMONE BRASSINOSTEROID BRASSINAZOLEOXIDOREDUCTASE
Ref.: STRUCTURAL INSIGHTS INTO A KEY STEP OF BRASSINOSTER BIOSYNTHESIS AND ITS INHIBITION. NAT.PLANTS V. 5 589 2019
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 6A17 Ki = 1.05 uM 9RL C18 H18 Cl N3 O C[C@@](c1c....
2 6A15 - CLR C27 H46 O CC(C)CCC[C....
3 6A16 Ki = 6.9 uM UCZ C15 H18 Cl N3 O CC(C)(C)[C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 6A17 Ki = 1.05 uM 9RL C18 H18 Cl N3 O C[C@@](c1c....
2 6A15 - CLR C27 H46 O CC(C)CCC[C....
3 6A16 Ki = 6.9 uM UCZ C15 H18 Cl N3 O CC(C)(C)[C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 6A17 Ki = 1.05 uM 9RL C18 H18 Cl N3 O C[C@@](c1c....
2 6A15 - CLR C27 H46 O CC(C)CCC[C....
3 6A16 Ki = 6.9 uM UCZ C15 H18 Cl N3 O CC(C)(C)[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: UCZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 UCZ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: UCZ; Similar ligands found: 1
No: Ligand Similarity coefficient
1 6O3 0.9119
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6A17; Ligand: 9RL; 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: 6a17.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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