Receptor
PDB id Resolution Class Description Source Keywords
2YD8 2.05 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF THE N-TERMINAL IG1-2 MODULE OF HUMAN RE PROTEIN TYROSINE PHOSPHATASE LAR IN COMPLEX WITH SUCROSE OC HOMO SAPIENS HYDROLASE RPTPF
Ref.: PROTEOGLYCAN-SPECIFIC MOLECULAR SWITCH FOR RPTP SIG CLUSTERING AND NEURONAL EXTENSION. SCIENCE V. 332 484 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
YYJ A:1228;
Valid;
none;
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500.409 C6 H12 O18 S4 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YD8 2.05 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF THE N-TERMINAL IG1-2 MODULE OF HUMAN RE PROTEIN TYROSINE PHOSPHATASE LAR IN COMPLEX WITH SUCROSE OC HOMO SAPIENS HYDROLASE RPTPF
Ref.: PROTEOGLYCAN-SPECIFIC MOLECULAR SWITCH FOR RPTP SIG CLUSTERING AND NEURONAL EXTENSION. SCIENCE V. 332 484 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 2YD8 - YYJ C6 H12 O18 S4 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 2YD6 - FLC C6 H5 O7 C(C(=O)[O-....
2 2YD8 - YYJ C6 H12 O18 S4 C([C@@H]1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 2YD1 - GLY C2 H5 N O2 C(C(=O)O)N
2 2YD6 - FLC C6 H5 O7 C(C(=O)[O-....
3 2YD8 - YYJ C6 H12 O18 S4 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: YYJ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 YYJ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: YYJ; 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 : 2YD8; Ligand: YYJ; 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: 2yd8.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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