Receptor
PDB id Resolution Class Description Source Keywords
6EUX 2.05 Å EC: 7.-.-.- STRUCTURE OF THE MIDLINK AND CAP-BINDING DOMAINS OF INFLUENZ POLYMERASE PB2 SUBUNIT WITH A BOUND AZAINDAZOLE CAP-BINDING INFLUENZA B VIRUS (B/MEMPHIS/13/2003) INFLUENZA B POLYMERASE PB2 SUBUNIT CAP-BINDING DOMAIN CAP-BIINHIBITOR RNA BINDING PROTEIN
Ref.: CAPPED RNA PRIMER BINDING TO INFLUENZA POLYMERASE A IMPLICATIONS FOR THE MECHANISM OF CAP-BINDING INHIB NUCLEIC ACIDS RES. V. 46 956 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BYB A:601;
 Valid;
 none;
 submit data
400.382 C19 H18 F2 N6 O2 c1c(c...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6EUX 2.05 Å EC: 7.-.-.- STRUCTURE OF THE MIDLINK AND CAP-BINDING DOMAINS OF INFLUENZ POLYMERASE PB2 SUBUNIT WITH A BOUND AZAINDAZOLE CAP-BINDING INFLUENZA B VIRUS (B/MEMPHIS/13/2003) INFLUENZA B POLYMERASE PB2 SUBUNIT CAP-BINDING DOMAIN CAP-BIINHIBITOR RNA BINDING PROTEIN
Ref.: CAPPED RNA PRIMER BINDING TO INFLUENZA POLYMERASE A IMPLICATIONS FOR THE MECHANISM OF CAP-BINDING INHIB NUCLEIC ACIDS RES. V. 46 956 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 6EUX - BYB C19 H18 F2 N6 O2 c1c(cnc2c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 6EUX - BYB C19 H18 F2 N6 O2 c1c(cnc2c1....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 6EUX - BYB C19 H18 F2 N6 O2 c1c(cnc2c1....
2 5EFC Kd = 14.1 uM GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 5EFA Kd = 14.7 uM MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
4 4CB7 - 41G C15 H14 N5 O5 Cn1c[n+](c....
5 4CB5 Kd = 13 uM 93G C15 H15 N6 O4 Cn1c[n+](c....
6 4NCE - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
7 4CB4 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
8 4EQK - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
9 4CB6 - 29R C16 H24 N5 O5 Cn1c[n+](c....
10 6EUW Kd = 0.017 uM BYB C19 H18 F2 N6 O2 c1c(cnc2c1....
11 3WI1 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
12 5F79 - 4V7 C23 H27 F2 N7 O2 c1c(cnc2c1....
13 4ES5 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BYB; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 BYB 1 1
2 21G 0.6 0.909091
Similar Ligands (3D)
Ligand no: 1; Ligand: BYB; 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 : 6EUX; Ligand: BYB; 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: 6eux.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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