PDB ligand accession: 08N
DrugBank: DB06174
InChI Key: AKNNEGZIBPJZJG-MSOLQXFVSA-N
SMILES: CN1CCc2cc3c(c(c2C1C4c5ccc(c(c5C(=O)O4)OC)OC)OC)OCO3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Alkaloids and derivatives
- Class: Phthalide isoquinolines
- Subclass: None
- Class: Phthalide isoquinolines
- Superclass: Alkaloids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
Q99720 | Download | Predicted | Q99720_F1_nD1 | jelly-roll |
5HK1 | Predicted | e5hk1B1 e5hk1A2 e5hk1C1 e5hk1B2 e5hk1C2 e5hk1A1 | ||
5HK2 | Predicted | e5hk2A1 e5hk2B1 e5hk2C2 e5hk2A2 e5hk2B2 e5hk2C1 | ||
6DJZ | Predicted | e6djzB2 e6djzA1 e6djzC1 e6djzB1 e6djzA2 e6djzC2 | ||
6DK0 | Predicted | e6dk0A1 e6dk0C2 e6dk0B2 e6dk0A2 e6dk0C1 e6dk0B1 | ||
6DK1 | Predicted | e6dk1A2 e6dk1C2 e6dk1B1 e6dk1A1 e6dk1C1 e6dk1B2 |