Ligand profile
NMR
Ligand co-crystallized with a similar protein (Protein Data Bank).
Bound to: VK055_2800 — ornithine carbamoyltransferase
Identifiers
Database identifiers and provenance.
- Ligand ID
NMR- PDB
7nou- UniProt (similar protein)
P9WIT9- Target protein
- VK055_2800
Chemical representations
Canonical representations for cheminformatics workflows.
B(=O)(c1cc(cc(c1)Cl)Cl)OB(=O)(c1cc(cc(c1)Cl)Cl)O
Provenance
Annotation context from LigQ_2, the internal Target step that collects PDB, ChEMBL, and ZINC ligand evidence.
- Method
- LigQ nearest_k
- Source
- PDB
- Binding sites
- PF00185' 'PF02729
External resources
Open this ligand in third-party databases and cheminformatics tools.
- PDB RCSB ligand NMR →
- PDB RCSB structure 7nou →
- UniProt UniProt P9WIT9 (homolog) →
- PubChem PubChem (by SMILES) →
- Cheminformatics SwissADME prediction →
- Cheminformatics SwissTargetPrediction →
- Web Google Scholar (search “NMR”) →
Other ligands for this protein
Quick navigation to other ligands bound to VK055_2800.
PDB 14
Ligands co-crystallized with this protein (structural evidence).
ZINC 50
Virtual screening candidates selected by structural similarity to known actives (Tanimoto ≥ 0.5).