Receptor
PDB id Resolution Class Description Source Keywords
4R9W 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PLATELET FACTOR 4 COMPLEXED WITH FONDAP HOMO SAPIENS PF4 FONDAPARINUX CXC CHEMOKINE PLATELET FACTOR GLYCOSAMIPLATELET CYTOKINE
Ref.: ATOMIC DESCRIPTION OF THE IMMUNE COMPLEX INVOLVED I HEPARIN-INDUCED THROMBOCYTOPENIA. NAT COMMUN V. 6 8277 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NTO B:201;
Valid;
none;
submit data
1508.26 C31 H53 N3 O49 S8 CO[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4R9W 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF PLATELET FACTOR 4 COMPLEXED WITH FONDAP HOMO SAPIENS PF4 FONDAPARINUX CXC CHEMOKINE PLATELET FACTOR GLYCOSAMIPLATELET CYTOKINE
Ref.: ATOMIC DESCRIPTION OF THE IMMUNE COMPLEX INVOLVED I HEPARIN-INDUCED THROMBOCYTOPENIA. NAT COMMUN V. 6 8277 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4R9W - NTO C31 H53 N3 O49 S8 CO[C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4R9W - NTO C31 H53 N3 O49 S8 CO[C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4R9W - NTO C31 H53 N3 O49 S8 CO[C@@H]1[....
2 1F9P - ESA ESA ESA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NTO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 NTO 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4R9W; Ligand: NTO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4r9w.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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