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 |
---|---|---|---|---|
P07949 | Download | Predicted | P07949_F1_nD1 P07949_F1_nD2 P07949_F1_nD3 P07949_F1_nD6 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp |
2IVS | Predicted | e2ivsA1 e2ivsB2 | ||
2IVT | Predicted | e2ivtA2 | ||
2IVU | Predicted | e2ivuA2 | ||
2IVV | Predicted | e2ivvA1 | ||
2X2K | Predicted | e2x2kA2 | ||
2X2L | Predicted | e2x2lA2 | ||
2X2M | Predicted | e2x2mB1 e2x2mA1 | ||
2X2U | Predicted | e2x2uA2 e2x2uA4 | ||
4CKI | Predicted | e4ckiA1 | ||
4CKJ | Predicted | e4ckjA1 | ||
4UX8 | Predicted | e4ux8A1 e4ux8B1 e4ux8A3 e4ux8B3 e4ux8A4 e4ux8B2 e4ux8A2 e4ux8B4 | ||
5AMN | Predicted | e5amnA1 | ||
5FM2 | Predicted | e5fm2A1 | ||
5FM3 | Predicted | e5fm3A1 | ||
6FEK | Predicted | e6fekA1 | ||
6GL7 | Predicted | e6gl7F2 e6gl7E3 e6gl7F1 e6gl7E2 e6gl7F3 e6gl7E4 e6gl7F4 e6gl7E1 | ||
6NE7 | Predicted | e6ne7A1 | ||
6NEC | Predicted | e6necA1 e6necC1 | ||
6NJA | Predicted | e6njaA1 |