Receptor
PDB id Resolution Class Description Source Keywords
4OEG 1.6 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE ANALYSIS OF FGF2-DISACCHARIDE (S9I2) COMPL HOMO SAPIENS HEPARIN/HEPARIN SULFATE BINDING PROTEIN BINDING
Ref.: INTERACTIONS THAT INFLUENCE THE BINDING OF SYNTHETI SULFATE BASED DISACCHARIDES TO FIBROBLAST GROWTH FA ACS CHEM.BIOL. V. 9 1712 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IDY SUS B:1;
 Valid;
 none;
 Kd = 9.01 uM
684.535 n/a S(=O)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OEE 1.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE ANALYSIS OF FGF2-DISACCHARIDE (S3I2) COMPL HOMO SAPIENS HEPARIN/HEPARIN SULFATE BINDING PROTEIN BINDING
Ref.: INTERACTIONS THAT INFLUENCE THE BINDING OF SYNTHETI SULFATE BASED DISACCHARIDES TO FIBROBLAST GROWTH FA ACS CHEM.BIOL. V. 9 1712 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 1BFC - SGN IDS SGN IDS SGN UAP n/a n/a
2 1BFB - SGN IDS SGN UAP n/a n/a
3 4OEE Kd = 1.73 uM IDY GNX n/a n/a
4 4OEG Kd = 9.01 uM IDY SUS n/a n/a
5 4OEF Kd = 17.5 uM IDY SGN 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 214 families.
1 1BFC - SGN IDS SGN IDS SGN UAP n/a n/a
2 1BFB - SGN IDS SGN UAP n/a n/a
3 4OEE Kd = 1.73 uM IDY GNX n/a n/a
4 4OEG Kd = 9.01 uM IDY SUS n/a n/a
5 4OEF Kd = 17.5 uM IDY SGN n/a n/a
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 3JUT - GTQ C7 H6 O4 c1cc(c(cc1....
2 1HKN - N2M C10 H9 N O3 S c1cc2cc(cc....
3 2UUS - GU4 YYJ n/a n/a
4 3K1X - DBX C6 H6 O5 S c1cc(c(cc1....
5 1BFC - SGN IDS SGN IDS SGN UAP n/a n/a
6 1BFB - SGN IDS SGN UAP n/a n/a
7 4OEE Kd = 1.73 uM IDY GNX n/a n/a
8 4OEG Kd = 9.01 uM IDY SUS n/a n/a
9 4OEF Kd = 17.5 uM IDY SGN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IDY SUS; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 IDY SUS 1 1
2 IDY GNX 0.802632 0.984127
3 IDY SGN 0.7875 0.96875
4 ZDO IDS SUS BDP SGN 0.558559 0.953846
5 IDS SGN IDS SGN IDS SUS IDS SGN 0.541284 0.923077
6 SGN IDS SGN IDS 0.514563 0.907692
7 IDS SGN IDS SGN IDS 0.486486 0.893939
8 IDS SGN IDS SGN IDS SGN 0.482143 0.909091
9 SGN IDS SGN IDS SGN 0.473214 0.909091
10 SGN IDS SGN UAP 0.464912 0.880597
11 SGN IDS SGN IDS SGN UAP 0.464912 0.880597
12 NG6 BDP ASG GCD 0.440678 0.828571
13 IDS SGN IDS SGN UAP 0.430894 0.880597
Similar Ligands (3D)
Ligand no: 1; Ligand: IDY SUS; 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 : 4OEE; Ligand: IDY GNX; 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: 4oee.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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