Ligand profile
KEG
Ligand co-crystallized with a similar protein (Protein Data Bank).
Bound to: KP13_03816 — Uracil permease
Via homolog
PDB 5xls
Identifiers
Database identifiers and provenance.
- Ligand ID
KEG- PDB
5xls- UniProt (similar protein)
P0AGM8- Target protein
- KP13_03816
Chemical representations
Canonical representations for cheminformatics workflows.
SMILES
O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%12%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)(O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[W]1(=O)(O6)(O5)O%12O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%12%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)(O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[W]1(=O)(O6)(O5)O%12
Provenance
Annotation context from LigQ_2, the internal Target step that collects PDB, ChEMBL, and ZINC ligand evidence.
- Method
- LigQ sequence
- Source
- PDB
- Binding sites
- PF00860
External resources
Open this ligand in third-party databases and cheminformatics tools.
- PDB RCSB ligand KEG →
- PDB RCSB structure 5xls →
- UniProt UniProt P0AGM8 (homolog) →
- PubChem PubChem (by SMILES) →
- Cheminformatics SwissADME prediction →
- Cheminformatics SwissTargetPrediction →
- Web Google Scholar (search “KEG”) →
Other ligands for this protein
Quick navigation to other ligands bound to KP13_03816.
ZINC 50
Virtual screening candidates selected by structural similarity to known actives (Tanimoto ≥ 0.5).
Compound
Similarity (Tanimoto)