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 |
---|---|---|---|---|
P29320 | Download | Predicted | P29320_F1_nD1 P29320_F1_nD6 P29320_F1_nD7 P29320_F1_nD2 | jelly-roll Protein kinase/SAICAR synthase/ATP-grasp HhH/H2TH EGF-like |
2GSF | Predicted | e2gsfA1 | ||
2QO2 | Predicted | e2qo2A1 | ||
2QO7 | Predicted | e2qo7A2 | ||
2QO9 | Predicted | e2qo9A1 | ||
2QOB | Predicted | e2qobA1 | ||
2QOC | Predicted | e2qocA1 | ||
2QOD | Predicted | e2qodA1 | ||
2QOF | Predicted | e2qofA1 | ||
2QOI | Predicted | e2qoiA1 | ||
2QOK | Predicted | e2qokA1 | ||
2QOL | Predicted | e2qolA2 | ||
2QON | Predicted | e2qonA2 | ||
2QOO | Predicted | e2qooA1 | ||
2QOQ | Predicted | e2qoqA1 | ||
3DZQ | Predicted | e3dzqA1 | ||
3FXX | Predicted | e3fxxA1 | ||
3FY2 | Predicted | e3fy2A1 | ||
4G2F | Predicted | e4g2fA1 | ||
4GK2 | Predicted | e4gk2A2 | ||
4GK3 | Predicted | e4gk3A1 | ||
4GK4 | Predicted | e4gk4A2 | ||
4L0P | Predicted | e4l0pA1 | ||
4P4C | Predicted | e4p4cA1 | ||
4P5Q | Predicted | e4p5qA1 | ||
4P5Z | Predicted | e4p5zA1 | ||
4TWN | Predicted | e4twnA1 | ||
4TWO | Predicted | e4twoA1 | ||
6IN0 | Predicted | e6in0A1 |