PDB ligand accession: 26G
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: CLAXVJRRXGSGJP-UHFFFAOYSA-N
SMILES: Cc1ncc(c(n1)N)Cc2cccc(c2)CCO
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
8A4D | Download | Experimental | e8a4dA2 e8a4dA3 e8a4dD3 e8a4dB2 e8a4dB3 e8a4dE2 e8a4dC1 e8a4dC3 e8a4dA2 e8a4dA3 e8a4dD1 e8a4dD3 e8a4dB3 e8a4dE1 e8a4dE2 e8a4dF2 e8a4dF3 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |