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 |
---|---|---|---|---|
Q9UIK4 | Download | Predicted | Q9UIK4_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
1WMK | Predicted | e1wmkA1 e1wmkB1 e1wmkD1 e1wmkC1 e1wmkF1 e1wmkH1 e1wmkE2 e1wmkG2 | ||
1Z9X | Predicted | e1z9xA1 e1z9xB1 e1z9xC1 | ||
1ZWS | Predicted | e1zwsA1 e1zwsB1 e1zwsC1 e1zwsD1 e1zwsE1 e1zwsF1 e1zwsG1 e1zwsH1 | ||
2A27 | Predicted | e2a27A1 e2a27B1 e2a27C1 e2a27D1 e2a27E1 e2a27F1 e2a27G1 e2a27H1 | ||
2A2A | Predicted | e2a2aA1 e2a2aB1 e2a2aC1 e2a2aD1 | ||
2CKE | Predicted | e2ckeA1 e2ckeB1 e2ckeC1 e2ckeD1 |