Receptor
PDB id Resolution Class Description Source Keywords
1UOU 2.11 Å EC: 2.4.2.4 CRYSTAL STRUCTURE OF HUMAN THYMIDINE PHOSPHORYLASE IN COMPLEX WITH A SMALL MOLECULE INHIBITOR HOMO SAPIENS PHOSPHORYLASE TRANSFERASE GLYCOSYLTRANSFERASE CHEMOTAXIS ANGIOGENESIS
Ref.: CRYSTAL STRUCTURE OF HUMAN THYMIDINE PHOSPHORYLASE IN COMPLEX WITH A SMALL MOLECULE INHIBITOR STRUCTURE V. 12 75 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CMU A:1481;
Valid;
none;
Ki = 20 nM
242.662 C9 H11 Cl N4 O2 [H]/N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UOU 2.11 Å EC: 2.4.2.4 CRYSTAL STRUCTURE OF HUMAN THYMIDINE PHOSPHORYLASE IN COMPLEX WITH A SMALL MOLECULE INHIBITOR HOMO SAPIENS PHOSPHORYLASE TRANSFERASE GLYCOSYLTRANSFERASE CHEMOTAXIS ANGIOGENESIS
Ref.: CRYSTAL STRUCTURE OF HUMAN THYMIDINE PHOSPHORYLASE IN COMPLEX WITH A SMALL MOLECULE INHIBITOR STRUCTURE V. 12 75 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2WK6 Ki = 0.48 mM IUR C4 H3 I N2 O2 C1=C(C(=O)....
2 2J0F - TDR C5 H6 N2 O2 CC1=CNC(=O....
3 1UOU Ki = 20 nM CMU C9 H11 Cl N4 O2 [H]/N=C1/C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2WK6 Ki = 0.48 mM IUR C4 H3 I N2 O2 C1=C(C(=O)....
2 2J0F - TDR C5 H6 N2 O2 CC1=CNC(=O....
3 1UOU Ki = 20 nM CMU C9 H11 Cl N4 O2 [H]/N=C1/C....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4LHM Ki = 0.68 mM AZZ C10 H13 N5 O4 CC1=CN(C(=....
2 4YYY - URI C9 H12 N2 O6 C1=CN(C(=O....
3 1BRW - URA C4 H4 N2 O2 C1=CNC(=O)....
4 2WK6 Ki = 0.48 mM IUR C4 H3 I N2 O2 C1=C(C(=O)....
5 2J0F - TDR C5 H6 N2 O2 CC1=CNC(=O....
6 1UOU Ki = 20 nM CMU C9 H11 Cl N4 O2 [H]/N=C1/C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CMU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CMU 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UOU; Ligand: CMU; 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: 1uou.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1UOU; Ligand: CMU; 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: 1uou.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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