Receptor
PDB id Resolution Class Description Source Keywords
1UDH 1.75 Å EC: 3.2.2.3 THE STRUCTURAL BASIS OF SPECIFIC BASE EXCISION REPAIR BY URACIL-DNA GLYCOSYLASE HERPES SIMPLEX VIRUS (TYPE 1 / STRAIN 17) HYDROLASE DNA-N-GLYCOSIDASE
Ref.: THE STRUCTURAL BASIS OF SPECIFIC BASE-EXCISION REPAIR BY URACIL-DNA GLYCOSYLASE. NATURE V. 373 487 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:245;
A:246;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
URA A:247;
Valid;
none;
submit data
112.087 C4 H4 N2 O2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UDH 1.75 Å EC: 3.2.2.3 THE STRUCTURAL BASIS OF SPECIFIC BASE EXCISION REPAIR BY URACIL-DNA GLYCOSYLASE HERPES SIMPLEX VIRUS (TYPE 1 / STRAIN 17) HYDROLASE DNA-N-GLYCOSIDASE
Ref.: THE STRUCTURAL BASIS OF SPECIFIC BASE-EXCISION REPAIR BY URACIL-DNA GLYCOSYLASE. NATURE V. 373 487 1995
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1UDH - URA C4 H4 N2 O2 C1=CNC(=O)....
2 1LAU - DT DT DT n/a n/a
3 2C53 - DUR C9 H12 N2 O5 C1[C@@H]([....
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 1UDH - URA C4 H4 N2 O2 C1=CNC(=O)....
2 1LAU - DT DT DT n/a n/a
3 2C53 - DUR C9 H12 N2 O5 C1[C@@H]([....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2EUG - URA C4 H4 N2 O2 C1=CNC(=O)....
2 1FLZ - URA C4 H4 N2 O2 C1=CNC(=O)....
3 5EUG - URA C4 H4 N2 O2 C1=CNC(=O)....
4 1UDH - URA C4 H4 N2 O2 C1=CNC(=O)....
5 1LAU - DT DT DT n/a n/a
6 2C53 - DUR C9 H12 N2 O5 C1[C@@H]([....
7 3FCL ic50 = 315 uM 3FL C17 H22 N4 O4 c1cc(cc(c1....
8 3FCF ic50 = 40 uM FCF C15 H14 N4 O6 c1cc(cc(c1....
9 3FCI ic50 = 1.3 uM 3FI C16 H18 N4 O5 c1cc(cc(c1....
10 2HXM - 302 C15 H14 N4 O6 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: URA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 URA 1 1
2 TUL 0.5 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UDH; Ligand: URA; 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: 1udh.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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