PDB ligand accession: 336
DrugBank: DB06448
InChI Key: DHMTURDWPRKSOA-RUZDIDTESA-N
SMILES: c1c(cc(c2c1CCc3cc(cnc3C2C4CCN(CC4)C(=O)CC5CCN(CC5)C(=O)N)Br)Br)Cl
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzocycloheptapyridines
- Subclass: None
- Class: Benzocycloheptapyridines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P49354 | Download | Predicted | P49354_F1_nD1 | Repetitive alpha hairpins |
1JCQ | Predicted | e1jcqA1 | ||
1LD7 | Predicted | e1ld7A1 | ||
1LD8 | Predicted | e1ld8A1 | ||
1MZC | Predicted | e1mzcA1 | ||
1S63 | Predicted | e1s63A1 | ||
1SA4 | Predicted | e1sa4A1 | ||
1TN6 | Predicted | e1tn6A1 | ||
2F0Y | Predicted | e2f0yA1 | ||
2H6F | Predicted | e2h6fA1 | ||
2H6G | Predicted | e2h6gA1 | ||
2H6H | Predicted | e2h6hA1 | ||
2H6I | Predicted | e2h6iA1 | ||
2IEJ | Predicted | e2iejA1 | ||
3E37 | Predicted | e3e37A1 |