Receptor
PDB id Resolution Class Description Source Keywords
5DV4 1.8 Å EC: 3.1.13.4 CRYSTAL STRUCTURE OF HUMAN CNOT6L IN COMPLEX WITH NEOMYCIN HOMO SAPIENS NUCLEASE DOMAIN DEADENYLASE HYDROLASE
Ref.: STRUCTURAL BASIS FOR INHIBITION OF THE DEADENYLASE OF HUMAN CNOT6L FEBS LETT. V. 590 1270 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:602;
A:603;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
NMY A:601;
 Valid;
 none;
 ic50 = 3370 uM
614.644 C23 H46 N6 O13 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DV2 2.07 Å EC: 3.1.13.4 CRYSTAL STRUCTURE OF HUMAN CNOT6L IN COMPLEX WITH CYTIDINE-5 MONOPHOSPHATE HOMO SAPIENS NUCLEASE DOMAIN DEADENYLASE INHIBITOR COMPLEX HYDROLASE
Ref.: STRUCTURAL BASIS FOR INHIBITION OF THE DEADENYLASE OF HUMAN CNOT6L FEBS LETT. V. 590 1270 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5DV2 ic50 = 1250 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
2 5DV4 ic50 = 3370 uM NMY C23 H46 N6 O13 C1[C@H]([C....
3 3NGN - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5DV2 ic50 = 1250 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
2 5DV4 ic50 = 3370 uM NMY C23 H46 N6 O13 C1[C@H]([C....
3 3NGN - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5DV2 ic50 = 1250 uM C5P C9 H14 N3 O8 P C1=CN(C(=O....
2 5DV4 ic50 = 3370 uM NMY C23 H46 N6 O13 C1[C@H]([C....
3 3NGN - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NMY; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 NMY 1 1
2 PAR 0.952381 1
3 RIO 0.784615 1
4 LIV 0.590909 0.979592
5 OZY 0.555556 0.705882
6 XXX 0.550725 0.875
7 CK0 0.526316 0.958333
8 9CS 0.519481 0.958333
9 7QM 0.487805 0.92
10 B31 0.472527 0.90566
11 KNC 0.4125 0.9375
12 CJX 0.402597 0.958333
Similar Ligands (3D)
Ligand no: 1; Ligand: NMY; 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 : 5DV2; Ligand: C5P; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 5dv2.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 7CNE SIN 6.71141
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