Receptor
PDB id Resolution Class Description Source Keywords
2XRH 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE TRUNCATED FORM OF HP0721 HELICOBACTER PYLORI UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF HP0721, A NOVEL SECRETED PROTE HELICOBACTER PYLORI. PROTEINS V. 79 1678 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NIO A:200;
Valid;
none;
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123.109 C6 H5 N O2 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XRH 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE TRUNCATED FORM OF HP0721 HELICOBACTER PYLORI UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF HP0721, A NOVEL SECRETED PROTE HELICOBACTER PYLORI. PROTEINS V. 79 1678 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 2XRH - NIO C6 H5 N O2 c1cc(cnc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 2XRH - NIO C6 H5 N O2 c1cc(cnc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 2XRH - NIO C6 H5 N O2 c1cc(cnc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NIO; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 NIO 1 1
2 5F8 0.487805 0.789474
3 BEZ 0.433333 0.625
4 5HN 0.428571 0.695652
5 61O 0.418605 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XRH; Ligand: NIO; 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: 2xrh.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2XRH; Ligand: NIO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2xrh.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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