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 |
---|---|---|---|---|
P41743 | Download | Predicted | P41743_F1_nD1 P41743_F1_nD3 P41743_F1_nD2 | beta-Grasp Protein kinase/SAICAR synthase/ATP-grasp RING/U-box-like |
1VD2 | Predicted | e1vd2A1 | ||
1WMH | Predicted | e1wmhA1 | ||
1ZRZ | Predicted | e1zrzA1 | ||
3A8W | Predicted | e3a8wA1 e3a8wB1 | ||
3A8X | Predicted | e3a8xA1 e3a8xB1 | ||
3ZH8 | Predicted | e3zh8C2 e3zh8A1 e3zh8B2 | ||
5LI1 | Predicted | e5li1A1 | ||
5LI9 | Predicted | e5li9A1 | ||
5LIH | Predicted | e5lihA1 e5lihB1 | ||
6ILZ | Predicted | e6ilzA1 e6ilzC1 e6ilzG1 e6ilzE1 |