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 |
---|---|---|---|---|
P42684 | Download | Predicted | P42684_F1_nD3 P42684_F1_nD2 P42684_F1_nD4 P42684_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp SH2 Four-helical up-and-down bundle SH3 |
2ECD | Predicted | e2ecdA1 | ||
2KK1 | Predicted | e2kk1A1 | ||
2XYN | Predicted | e2xynA1 e2xynB1 e2xynC1 | ||
3GVU | Predicted | e3gvuA1 | ||
3HMI | Predicted | e3hmiA1 | ||
4EIH | Predicted | e4eihA1 | ||
5NP3 | Predicted | e5np3A1 e5np3B1 e5np3C1 e5np3D1 | ||
5NP5 | Predicted | e5np5A1 e5np5B1 |