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 |
---|---|---|---|---|
Q08881 | Download | Predicted | Q08881_F1_nD2 Q08881_F1_nD5 | Btk/CHORD zinc fingers Protein kinase/SAICAR synthase/ATP-grasp |
1SM2 | Predicted | e1sm2A1 e1sm2B1 | ||
1SNU | Predicted | e1snuB1 e1snuA1 | ||
1SNX | Predicted | e1snxA1 e1snxB1 | ||
2E6I | Predicted | e2e6iA1 | ||
2LMJ | Predicted | e2lmjA1 | ||
2YUQ | Predicted | e2yuqA1 | ||
3MIY | Predicted | e3miyA1 e3miyB1 | ||
3MJ1 | Predicted | e3mj1A2 | ||
3MJ2 | Predicted | e3mj2A1 | ||
3QGW | Predicted | e3qgwA1 e3qgwB1 | ||
3QGY | Predicted | e3qgyA1 e3qgyB1 | ||
3T9T | Predicted | e3t9tA1 | ||
3V5J | Predicted | e3v5jA1 e3v5jB1 | ||
3V5L | Predicted | e3v5lC1 e3v5lD1 e3v5lA1 e3v5lB2 | ||
3V8T | Predicted | e3v8tB1 e3v8tA2 | ||
3V8W | Predicted | e3v8wA1 e3v8wB1 | ||
4HCT | Predicted | e4hctA1 | ||
4HCU | Predicted | e4hcuA1 | ||
4HCV | Predicted | e4hcvA1 | ||
4KIO | Predicted | e4kioC1 e4kioA1 e4kioB1 e4kioD1 | ||
4L7S | Predicted | e4l7sA1 e4l7sB1 | ||
4M0Y | Predicted | e4m0yA1 | ||
4M0Z | Predicted | e4m0zA1 | ||
4M12 | Predicted | e4m12A1 | ||
4M13 | Predicted | e4m13A1 | ||
4M14 | Predicted | e4m14A1 | ||
4M15 | Predicted | e4m15A1 | ||
4MF0 | Predicted | e4mf0A2 e4mf0B2 | ||
4MF1 | Predicted | e4mf1A1 e4mf1B1 | ||
4PP9 | Predicted | e4pp9A1 e4pp9B1 | ||
4PPA | Predicted | e4ppaA1 e4ppaB1 | ||
4PPB | Predicted | e4ppbA1 e4ppbB1 | ||
4PPC | Predicted | e4ppcA1 e4ppcB1 | ||
4PQN | Predicted | e4pqnA1 | ||
4QD6 | Predicted | e4qd6A1 e4qd6B1 | ||
4RFM | Predicted | e4rfmA1 |