Ligand profile
JQZ
Ligand co-crystallized with a similar protein (Protein Data Bank).
Bound to: VK055_3138 — 3-octaprenyl-4-hydroxybenzoate decarboxylase
Identifiers
Database identifiers and provenance.
- Ligand ID
JQZ- PDB
6r32- UniProt (similar protein)
A2QHE5- Target protein
- VK055_3138
Chemical representations
Canonical representations for cheminformatics workflows.
CC1=CC2=[N](C3=C4(C(=C([C@H]5[N]4=C2C(=C1C)C(C5)(C)C)C(=O)O)c6ccccc6)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)OCC1=CC2=[N](C3=C4(C(=C([C@H]5[N]4=C2C(=C1C)C(C5)(C)C)C(=O)O)c6ccccc6)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)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
- PF01977' 'PF20696
External resources
Open this ligand in third-party databases and cheminformatics tools.
- PDB RCSB ligand JQZ →
- PDB RCSB structure 6r32 →
- UniProt UniProt A2QHE5 (homolog) →
- PubChem PubChem (by SMILES) →
- Cheminformatics SwissADME prediction →
- Cheminformatics SwissTargetPrediction →
- Web Google Scholar (search “JQZ”) →
Other ligands for this protein
Quick navigation to other ligands bound to VK055_3138.
PDB 21
Ligands co-crystallized with this protein (structural evidence).
ZINC 50
Virtual screening candidates selected by structural similarity to known actives (Tanimoto ≥ 0.5).