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 |
---|---|---|---|---|
P07333 | Download | Predicted | P07333_F1_nD1 P07333_F1_nD3 P07333_F1_nD5 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp |
2I0V | Predicted | e2i0vA1 | ||
2I0Y | Predicted | e2i0yA1 | ||
2I1M | Predicted | e2i1mA1 | ||
2OGV | Predicted | e2ogvA1 | ||
3BEA | Predicted | e3beaA1 | ||
3DPK | Predicted | e3dpkA1 | ||
3KRJ | Predicted | e3krjA1 | ||
3KRL | Predicted | e3krlA1 | ||
3LCD | Predicted | e3lcdA1 | ||
3LCO | Predicted | e3lcoA2 | ||
4DKD | Predicted | e4dkdC4 e4dkdC5 | ||
4HW7 | Predicted | e4hw7A1 | ||
4LIQ | Predicted | e4liqE1 e4liqE5 e4liqE3 e4liqE4 e4liqE2 | ||
4R7H | Predicted | e4r7hA1 | ||
4R7I | Predicted | e4r7iA1 | ||
4WRL | Predicted | e4wrlA2 e4wrlC2 e4wrlA1 e4wrlC1 | ||
4WRM | Predicted | e4wrmA1 e4wrmA5 e4wrmA2 e4wrmA4 e4wrmA3 | ||
6IG8 | Predicted | e6ig8A1 | ||
6N33 | Predicted | e6n33A1 | ||
6T2W | Predicted | e6t2wA1 |