PDB ligand accession: A1E
DrugBank: DB04614
InChI Key: ROTFGKJJMRTWBD-HHHXNRCGSA-N
SMILES: c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCNC4CCCC5=C4C=CC(=O)N5
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Benzoquinolines
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P22303 | Download | Predicted | P22303_F1_nD1 P22303_F1_nD2 | alpha/beta-Hydrolases BRCC36 C-terminal helical domain |
1B41 | Predicted | e1b41A1 | ||
1F8U | Predicted | e1f8uA1 | ||
2X8B | Predicted | e2x8bA1 | ||
3LII | Predicted | e3liiA1 e3liiB1 | ||
4BDT | Predicted | e4bdtA1 | ||
4EY4 | Predicted | e4ey4A1 e4ey4B1 | ||
4EY5 | Predicted | e4ey5B1 e4ey5A1 | ||
4EY6 | Predicted | e4ey6A1 e4ey6B1 | ||
4EY7 | Predicted | e4ey7B1 e4ey7A1 | ||
4EY8 | Predicted | e4ey8A1 | ||
4M0E | Predicted | e4m0eA1 e4m0eB1 | ||
4M0F | Predicted | e4m0fA1 e4m0fB1 | ||
4PQE | Predicted | e4pqeA1 | ||
5FPQ | Predicted | e5fpqA1 e5fpqB1 | ||
5HF5 | Predicted | e5hf5A1 e5hf5B1 | ||
5HF6 | Predicted | e5hf6A1 e5hf6B1 | ||
5HF8 | Predicted | e5hf8A1 e5hf8B1 | ||
5HF9 | Predicted | e5hf9A1 e5hf9B1 | ||
5HFA | Predicted | e5hfaA1 e5hfaB1 | ||
6CQT | Predicted | e6cqtA1 e6cqtB1 | ||
6CQU | Predicted | e6cquA1 e6cquB1 | ||
6CQV | Predicted | e6cqvA1 e6cqvB1 | ||
6CQW | Predicted | e6cqwA1 e6cqwB1 | ||
6CQX | Predicted | e6cqxA1 e6cqxB1 | ||
6CQY | Predicted | e6cqyA1 e6cqyB1 | ||
6CQZ | Predicted | e6cqzA1 e6cqzB1 | ||
6F25 | Predicted | e6f25A1 e6f25B1 | ||
6NEA | Predicted | e6neaA1 e6neaB1 | ||
6O4W | Predicted | e6o4wA1 e6o4wB1 | ||
6O4X | Predicted | e6o4xA1 e6o4xB1 | ||
6O50 | Predicted | e6o50A1 e6o50B1 | ||
6O52 | Predicted | e6o52A1 e6o52B1 | ||
6O5R | Predicted | e6o5rA1 e6o5rB1 | ||
6O5S | Predicted | e6o5sA1 e6o5sB1 | ||
6O5V | Predicted | e6o5vA1 e6o5vB1 | ||
6O66 | Predicted | e6o66A1 e6o66B1 | ||
6O69 | Predicted | e6o69A1 |