PDB ligand accession: P31
DrugBank: DB12978
InChI Key: JGWRKYUXBBNENE-UHFFFAOYSA-N
SMILES: c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrrolopyridines
- Subclass: None
- Class: Pyrrolopyridines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P09619 | Download | Predicted | P09619_F1_nD5 | Immunoglobulin-like beta-sandwich |
3MJG | Predicted | e3mjgX9 e3mjgY12 e3mjgX8 e3mjgY11 e3mjgX7 e3mjgY10 |