PDB ligand accession: 0WG
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: JGBNONXELAWFNR-UHFFFAOYSA-N
SMILES: CN1c2c(c(c(c(n2)N)CN)c3ccccc3Br)C(=O)N(C1=O)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Phenylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4G1F | Download | Experimental | e4g1fA1 e4g1fA2 e4g1fB1 e4g1fB2 e4g1fC1 e4g1fC2 e4g1fD1 e4g1fD2 | beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases | LigPlot |