Receptor
PDB id Resolution Class Description Source Keywords
5JOG 2.46 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF CSN5(2-257) IN COMPLEX WITH CNS5I-3 HOMO SAPIENS COP9 SIGNALOSOME METAL PROTEASE INHIBITOR HYDROXYLASE
Ref.: TARGETED INHIBITION OF THE COP9 SIGNALOSOME FOR TRE CANCER. NAT COMMUN V. 7 13166 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:301;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
6LT A:302;
Valid;
none;
ic50 = 0.0058 uM
505.559 C28 H29 F2 N5 O2 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JOG 2.46 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF CSN5(2-257) IN COMPLEX WITH CNS5I-3 HOMO SAPIENS COP9 SIGNALOSOME METAL PROTEASE INHIBITOR HYDROXYLASE
Ref.: TARGETED INHIBITION OF THE COP9 SIGNALOSOME FOR TRE CANCER. NAT COMMUN V. 7 13166 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 5M5Q ic50 = 0.09 uM 7K1 C34 H31 N5 O2 Cc1ccc(c(c....
2 5JOH ic50 = 1.1 uM 6M3 C21 H18 Cl N3 O c1ccc(c(c1....
3 5JOG ic50 = 0.0058 uM 6LT C28 H29 F2 N5 O2 CC(C)n1c(c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5M5Q ic50 = 0.09 uM 7K1 C34 H31 N5 O2 Cc1ccc(c(c....
2 5JOH ic50 = 1.1 uM 6M3 C21 H18 Cl N3 O c1ccc(c(c1....
3 5JOG ic50 = 0.0058 uM 6LT C28 H29 F2 N5 O2 CC(C)n1c(c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 5M5Q ic50 = 0.09 uM 7K1 C34 H31 N5 O2 Cc1ccc(c(c....
2 5JOH ic50 = 1.1 uM 6M3 C21 H18 Cl N3 O c1ccc(c(c1....
3 5JOG ic50 = 0.0058 uM 6LT C28 H29 F2 N5 O2 CC(C)n1c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6LT; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 6LT 1 1
2 6M3 0.403361 0.637681
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JOG; Ligand: 6LT; 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: 5jog.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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