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 |
---|---|---|---|---|
Q9Y6E0 | Download | Predicted | Q9Y6E0_F1_nD1 Q9Y6E0_F1_nD2 | Protein kinase/SAICAR synthase/ATP-grasp CCM3/GCKIII dimerization domain |
3A7F | Predicted | e3a7fA1 | ||
3A7G | Predicted | e3a7gA1 e3a7gB1 | ||
3A7H | Predicted | e3a7hA1 e3a7hB1 | ||
3A7I | Predicted | e3a7iA1 | ||
3A7J | Predicted | e3a7jA1 | ||
3CKW | Predicted | e3ckwA1 | ||
3CKX | Predicted | e3ckxA1 | ||
3ZHP | Predicted | e3zhpC1 e3zhpD2 | ||
4O27 | Predicted | e4o27B1 | ||
4QML | Predicted | e4qmlA1 | ||
4QMM | Predicted | e4qmmA1 | ||
4QMN | Predicted | e4qmnA1 | ||
4QMO | Predicted | e4qmoA1 | ||
4QMP | Predicted | e4qmpA1 | ||
4QMQ | Predicted | e4qmqA1 | ||
4QMS | Predicted | e4qmsA1 | ||
4QMT | Predicted | e4qmtA1 | ||
4QMU | Predicted | e4qmuA1 | ||
4QMV | Predicted | e4qmvA1 | ||
4QMW | Predicted | e4qmwA1 | ||
4QMX | Predicted | e4qmxA1 | ||
4QMY | Predicted | e4qmyA1 | ||
4QMZ | Predicted | e4qmzA1 | ||
4QNA | Predicted | e4qnaA1 | ||
4QO9 | Predicted | e4qo9A1 e4qo9B1 | ||
4U8Z | Predicted | e4u8zA1 | ||
4W8D | Predicted | e4w8dA1 | ||
4W8E | Predicted | e4w8eA1 |