PDB ligand accession: 2RC
DrugBank: DB12010
InChI Key: GKDRMWXFWHEQQT-UHFFFAOYSA-N
SMILES: CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Aniline and substituted anilines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
---|---|---|---|---|
Q12866 | Download | Predicted | Q12866_F1_nD2 Q12866_F1_nD5 Q12866_F1_nD1 | Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp Immunoglobulin-like beta-sandwich |
2DBJ | Predicted | e2dbjA1 | ||
2P0C | Predicted | e2p0cA1 e2p0cB1 | ||
3BPR | Predicted | e3bprB1 e3bprA1 e3bprC1 e3bprD1 | ||
3BRB | Predicted | e3brbA1 e3brbB1 | ||
3TCP | Predicted | e3tcpA1 e3tcpB1 | ||
4M3Q | Predicted | e4m3qB2 e4m3qA2 | ||
4MH7 | Predicted | e4mh7A1 e4mh7B1 | ||
4MHA | Predicted | e4mhaA1 e4mhaB1 | ||
5K0K | Predicted | e5k0kA1 e5k0kB1 | ||
5K0X | Predicted | e5k0xA1 e5k0xB1 | ||
5TC0 | Predicted | e5tc0B1 e5tc0A1 | ||
5TD2 | Predicted | e5td2A1 e5td2B1 | ||
5U6C | Predicted | e5u6cA1 e5u6cB1 | ||
6MEP | Predicted | e6mepA1 e6mepB1 |