PDB ligand accession: MIX
DrugBank: DB01204
InChI Key: KKZJGLLVHKMTCM-UHFFFAOYSA-N
SMILES: c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Anthracenes
- Subclass: Anthraquinones
- Class: Anthracenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
P11388 | Download | Predicted | P11388_F1_nD3 | HAD domain-related |
1ZXM | Predicted | e1zxmA2 e1zxmB4 e1zxmA1 e1zxmB3 | ||
1ZXN | Predicted | e1zxnC1 e1zxnB4 e1zxnD4 e1zxnA4 e1zxnC2 e1zxnB3 e1zxnD3 e1zxnA3 | ||
4FM9 | Predicted | e4fm9A4 e4fm9A6 e4fm9A1 e4fm9A3 e4fm9A7 | ||
4R1F | Predicted | e4r1fC2 e4r1fD2 e4r1fA2 e4r1fB2 e4r1fC1 e4r1fD1 e4r1fA1 e4r1fB1 | ||
5GWK | Predicted | e5gwkA5 e5gwkB2 e5gwkA1 e5gwkB1 e5gwkA3 e5gwkB4 e5gwkA4 e5gwkB5 e5gwkA2 e5gwkB3 |