Receptor
PDB id Resolution Class Description Source Keywords
6RCY 2.3 Å EC: 5.2.1.8 CRYSTAL STRUCTURE OF FK1 DOMAIN OF FKBP52 IN COMPLEX WITH A INSPIRED HYBRID FLUORESCENT LIGAND HOMO SAPIENS FKBP52 THE N-TERMINAL DOMAIN ISOMERASE LIGAND FLUORESCEN
Ref.: BIOINSPIRED HYBRID FLUORESCENT LIGANDS FOR THE FK1 FKBP52. J.MED.CHEM. V. 63 10330 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K0T A:201;
 Valid;
 none;
 Kd = 1.6 uM
679.829 C34 H45 N7 O6 S [H]/N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RCY 2.3 Å EC: 5.2.1.8 CRYSTAL STRUCTURE OF FK1 DOMAIN OF FKBP52 IN COMPLEX WITH A INSPIRED HYBRID FLUORESCENT LIGAND HOMO SAPIENS FKBP52 THE N-TERMINAL DOMAIN ISOMERASE LIGAND FLUORESCEN
Ref.: BIOINSPIRED HYBRID FLUORESCENT LIGANDS FOR THE FK1 FKBP52. J.MED.CHEM. V. 63 10330 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 6RCY Kd = 1.6 uM K0T C34 H45 N7 O6 S [H]/N=C(/N....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 6RCY Kd = 1.6 uM K0T C34 H45 N7 O6 S [H]/N=C(/N....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4JFK Kd = 0.36 uM JFK C25 H29 N3 O7 S2 COc1ccc(cc....
2 4ITZ - SIN ALA LEU PRO PHE NIT n/a n/a
3 6RCY Kd = 1.6 uM K0T C34 H45 N7 O6 S [H]/N=C(/N....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: K0T; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 K0T 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: K0T; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6RCY; Ligand: K0T; 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: 6rcy.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback