Receptor
PDB id Resolution Class Description Source Keywords
3EUF 1.9 Å EC: 2.4.2.3 CRYSTAL STRUCTURE OF BAU-BOUND HUMAN URIDINE PHOSPHORYLASE 1 HOMO SAPIENS NUCLEOSIDE PHOSPHORYLASE URIDINE RESCUE 5- BENZYLACYCLOURIDINE ALTERNATIVE SPLICING GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: IMPLICATIONS OF THE STRUCTURE OF HUMAN URIDINE PHOSPHORYLASE 1 ON THE DEVELOPMENT OF NOVEL INHIBITORS FOR IMPROVING THE THERAPEUTIC WINDOW OF FLUOROPYRIMIDINE CHEMOTHERAPY. BMC STRUCT.BIOL. V. 9 14 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BAU A:400;
B:400;
C:400;
D:400;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
276.288 C14 H16 N2 O4 c1ccc...
PO4 A:401;
B:401;
C:401;
D:401;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EUF 1.9 Å EC: 2.4.2.3 CRYSTAL STRUCTURE OF BAU-BOUND HUMAN URIDINE PHOSPHORYLASE 1 HOMO SAPIENS NUCLEOSIDE PHOSPHORYLASE URIDINE RESCUE 5- BENZYLACYCLOURIDINE ALTERNATIVE SPLICING GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: IMPLICATIONS OF THE STRUCTURE OF HUMAN URIDINE PHOSPHORYLASE 1 ON THE DEVELOPMENT OF NOVEL INHIBITORS FOR IMPROVING THE THERAPEUTIC WINDOW OF FLUOROPYRIMIDINE CHEMOTHERAPY. BMC STRUCT.BIOL. V. 9 14 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3EUF - BAU C14 H16 N2 O4 c1ccc(cc1)....
2 3NBQ - URF C4 H3 F N2 O2 C1=C(C(=O)....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 3P0E - BAU C14 H16 N2 O4 c1ccc(cc1)....
2 3P0F - BAU C14 H16 N2 O4 c1ccc(cc1)....
3 3EUF - BAU C14 H16 N2 O4 c1ccc(cc1)....
4 3NBQ - URF C4 H3 F N2 O2 C1=C(C(=O)....
5 3KVY - URA C4 H4 N2 O2 C1=CNC(=O)....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3P0E - BAU C14 H16 N2 O4 c1ccc(cc1)....
2 3P0F - BAU C14 H16 N2 O4 c1ccc(cc1)....
3 3EUF - BAU C14 H16 N2 O4 c1ccc(cc1)....
4 3NBQ - URF C4 H3 F N2 O2 C1=C(C(=O)....
5 5CYF - FLC C6 H5 O7 C(C(=O)[O-....
6 4TXJ - THM C10 H14 N2 O5 CC1=CN(C(=....
7 4TXM - TDR C5 H6 N2 O2 CC1=CNC(=O....
8 4TXL - URA C4 H4 N2 O2 C1=CNC(=O)....
9 4TXN - URF C4 H3 F N2 O2 C1=C(C(=O)....
10 3KVY - URA C4 H4 N2 O2 C1=CNC(=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BAU; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 BAU 1 1
2 183 0.657534 0.953125
3 182 0.507246 0.936508
4 181 0.492754 0.907692
Similar Ligands (3D)
Ligand no: 1; Ligand: BAU; Similar ligands found: 3
No: Ligand Similarity coefficient
1 NWL 0.8785
2 9X3 0.8740
3 4VT 0.8721
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EUF; Ligand: BAU; 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: 3euf.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3EUF; Ligand: BAU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3euf.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3EUF; Ligand: BAU; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 3euf.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3BJE URA 30.4878
2 3BJE URA 30.4878
Pocket No.: 4; Query (leader) PDB : 3EUF; Ligand: BAU; Similar sites found with APoc: 2
This union binding pocket(no: 4) in the query (biounit: 3euf.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3BJE URA 30.4878
2 3BJE URA 30.4878
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