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 263 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 196 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 171 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: 21
This union binding pocket(no: 1) in the query (biounit: 5jog.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KDU NKS 0.02239 0.41692 1.16732
2 4NS0 PIO 0.0006003 0.48513 2.25564
3 2XXP DSL 0.035 0.42611 2.72374
4 3BEJ MUF 0.01011 0.41687 2.94118
5 2FXU ATP 0.04296 0.4171 3.11284
6 4B1X LAB 0.007247 0.4123 3.11284
7 4B1Y LAB 0.006609 0.40344 3.11284
8 3ND6 ATP 0.003828 0.45083 4.09357
9 4RPO T6C 0.02532 0.40153 4.28016
10 1WLJ U5P 0.01742 0.41045 4.7619
11 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.03214 0.40573 5.05837
12 5IF4 6AK 0.02765 0.40223 7.54717
13 3G08 FEE 0.04233 0.41357 10.101
14 5OCA 9QZ 0.001833 0.46199 10.3175
15 2ZCQ B65 0.04926 0.40329 10.5058
16 3SJH LAR 0.01807 0.41285 11.1111
17 2WBV SIA 0.006746 0.43033 11.6402
18 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 0.04906 0.40576 13
19 5U98 1KX 0.009867 0.45063 13.1313
20 5L2J 70E 0.04513 0.41885 13.2653
21 3L9R L9R 0.008716 0.43381 28.5714
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