Receptor
PDB id Resolution Class Description Source Keywords
1U4M 2 Å NON-ENZYME: OTHER HUMAN RANTES COMPLEXED TO HEPARIN-DERIVED DISACCHARIDE III-S HOMO SAPIENS CHEMOATTRACTANT CYTOKINE CHEMOKINE RANTES GLYCOSAMINOGLYPROTEIN-HEPARIN DISACCHARIDE COMPLEX ATTRACTANT
Ref.: THE X-RAY STRUCTURE OF RANTES: HEPARIN-DERIVED DISA ALLOWS THE RATIONAL DESIGN OF CHEMOKINE INHIBITORS. STRUCTURE V. 12 2081 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY B:201;
Invalid;
none;
submit data
60.052 C2 H4 O2 CC(=O...
GNS UAP C:1;
Valid;
none;
submit data
494.383 n/a S(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1U4L 2 Å NON-ENZYME: OTHER HUMAN RANTES COMPLEXED TO HEPARIN-DERIVED DISACCHARIDE I-S HOMO SAPIENS CHEMOATTRACTANT CYTOKINE CHEMOKINE RANTES GLYCOSAMINOGLYPROTEIN-HEPARIN DISACCHARIDE COMPLEX ATTRACTANT
Ref.: THE X-RAY STRUCTURE OF RANTES: HEPARIN-DERIVED DISA ALLOWS THE RATIONAL DESIGN OF CHEMOKINE INHIBITORS. STRUCTURE V. 12 2081 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 1U4L - SGN UAP n/a n/a
2 1U4M - GNS 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 1U4L - SGN UAP n/a n/a
2 1U4M - GNS 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 1U4L - SGN UAP n/a n/a
2 1U4M - GNS UAP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GNS UAP; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 GNS UAP 1 1
2 SGN IDS SGN IDS SGN UAP 0.582524 0.969231
3 SGN IDS SGN UAP 0.582524 0.969231
4 ASG GCD 0.48913 0.880597
5 IDS SGN IDS SGN UAP 0.470085 0.939394
6 SGN UAP 0.458333 0.925373
7 GNS IDR GNS IDR GNS IDR GNS IDR 0.454545 0.953846
8 SGN IDU 0.43299 0.938462
9 NDG GCD 0.404255 0.637681
10 NAG GAD 0.402174 0.661765
11 8EX GCD 0.4 0.880597
12 ASG BDP ASG GCD 0.4 0.869565
Similar Ligands (3D)
Ligand no: 1; Ligand: GNS 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 : 1U4L; Ligand: SGN UAP; 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: 1u4l.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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