Receptor
PDB id Resolution Class Description Source Keywords
4WM7 2.32 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN ENTEROVIRUS D68 IN COMPLEX WITH P ENTEROVIRUS D68 ENTEROVIRUS CAPSID BETA JELLY ROLL VIRUS CAPSID-BINDING
Ref.: VIRUS STRUCTURE. STRUCTURE AND INHIBITION OF EV-D68 THAT CAUSES RESPIRATORY ILLNESS IN CHILDREN. SCIENCE V. 347 71 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
W11 A:301;
 Valid;
 none;
 submit data
381.349 C18 H18 F3 N3 O3 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WM8 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN ENTEROVIRUS D68 ENTEROVIRUS D68 ENTEROVIRUS CAPSID BETA JELLY ROLL VIRUS
Ref.: VIRUS STRUCTURE. STRUCTURE AND INHIBITION OF EV-D68 THAT CAUSES RESPIRATORY ILLNESS IN CHILDREN. SCIENCE V. 347 71 2015
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5BNO - NAG GAL SIA n/a n/a
2 5BNP - NAG GAL SIA n/a n/a
3 4WM7 - W11 C18 H18 F3 N3 O3 Cc1cc(cc(c....
4 4WM8 - DKA C10 H20 O2 CCCCCCCCCC....
5 5BNN - BGC GAL SIA n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5BNO - NAG GAL SIA n/a n/a
2 5BNP - NAG GAL SIA n/a n/a
3 4WM7 - W11 C18 H18 F3 N3 O3 Cc1cc(cc(c....
4 4WM8 - DKA C10 H20 O2 CCCCCCCCCC....
5 5BNN - BGC GAL SIA n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5BNO - NAG GAL SIA n/a n/a
2 5BNP - NAG GAL SIA n/a n/a
3 4WM7 - W11 C18 H18 F3 N3 O3 Cc1cc(cc(c....
4 4WM8 - DKA C10 H20 O2 CCCCCCCCCC....
5 5BNN - BGC GAL SIA n/a n/a
6 6T48 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
7 6T4C - GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 1NCQ - W11 C18 H18 F3 N3 O3 Cc1cc(cc(c....
9 4Q4X - SIA C11 H19 N O9 CC(=O)N[C@....
10 4Q4Y - SIA C11 H19 N O9 CC(=O)N[C@....
11 1ND2 - MYR C14 H28 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: W11; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 W11 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: W11; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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