Receptor
PDB id Resolution Class Description Source Keywords
2NWG 2.07 Å NON-ENZYME: OTHER STRUCTURE OF CXCL12:HEPARIN DISACCHARIDE COMPLEX HOMO SAPIENS PROTEIN-GLYCOSAMINOGLYCAN COMPLEX CYTOKINE SIGNALING PROTE
Ref.: STRUCTURAL AND FUNCTIONAL BASIS OF CXCL12 (STROMAL CELL-DERIVED FACTOR-1{ALPHA}) BINDING TO HEPARIN J.BIOL.CHEM. V. 282 10018 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SGN UAP C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
575.454 n/a S(=O)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UAI 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CXCL12 IN COMPLEX WITH INHIBITOR HOMO SAPIENS CXCL12 INHIBITOR COMPLEX CHEMOKINE CYTOKINE-CYTOKINE INHCOMPLEX
Ref.: STRUCTURAL ANALYSIS OF A NOVEL SMALL MOLECULE LIGAN TO THE CXCL12 CHEMOKINE. J.MED.CHEM. V. 57 9693 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4UAI - 3GG C14 H12 N6 O c1ccc(cc1)....
2 2NWG - SGN UAP n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4UAI - 3GG C14 H12 N6 O c1ccc(cc1)....
2 2NWG - SGN UAP n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4UAI - 3GG C14 H12 N6 O c1ccc(cc1)....
2 2NWG - SGN UAP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SGN UAP; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 SGN UAP 1 1
2 SGN IDU 0.611111 0.924242
3 SGN IDS SGN UAP 0.482456 0.925373
4 SGN IDS SGN IDS SGN UAP 0.482456 0.925373
5 SGN IDS SGN IDS 0.476636 0.895522
6 SGN IDS SGN IDS SGN 0.464912 0.925373
7 GNS UAP 0.458333 0.925373
Similar Ligands (3D)
Ligand no: 1; Ligand: SGN UAP; 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 : 4UAI; Ligand: 3GG; 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: 4uai.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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