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 |
---|---|---|---|---|
Q05397 | Download | Predicted | Q05397_F1_nD5 Q05397_F1_nD4 Q05397_F1_nD2 | Four-helical up-and-down bundle Protein kinase/SAICAR synthase/ATP-grasp Acyl-CoA binding protein-like |
1K04 | Predicted | e1k04A1 | ||
1K05 | Predicted | e1k05A1 e1k05B1 e1k05C1 | ||
1MP8 | Predicted | e1mp8A1 | ||
1OW6 | Predicted | e1ow6A1 e1ow6B1 e1ow6C1 | ||
1OW7 | Predicted | e1ow7A1 e1ow7B1 e1ow7C1 | ||
1OW8 | Predicted | e1ow8A1 e1ow8B1 e1ow8C1 | ||
2ETM | Predicted | e2etmA1 e2etmB1 | ||
2IJM | Predicted | e2ijmA1 e2ijmB1 | ||
3B71 | Predicted | e3b71A1 e3b71B1 e3b71C1 | ||
3BZ3 | Predicted | e3bz3A1 | ||
3PXK | Predicted | e3pxkA1 e3pxkB1 | ||
3S9O | Predicted | e3s9oA1 e3s9oC1 e3s9oB1 | ||
4EBV | Predicted | e4ebvA1 | ||
4EBW | Predicted | e4ebwA1 | ||
4GU6 | Predicted | e4gu6B1 e4gu6A1 | ||
4GU9 | Predicted | e4gu9A1 e4gu9B1 | ||
4I4E | Predicted | e4i4eA1 | ||
4I4F | Predicted | e4i4fA1 | ||
4K8A | Predicted | e4k8aA1 e4k8aB1 | ||
4K9Y | Predicted | e4k9yA1 | ||
4KAB | Predicted | e4kabA1 e4kabB1 | ||
4KAO | Predicted | e4kaoA1 e4kaoB1 | ||
4NY0 | Predicted | e4ny0C2 e4ny0A2 e4ny0B2 e4ny0D2 e4ny0D3 e4ny0A3 e4ny0B3 e4ny0C3 e4ny0A1 e4ny0B1 e4ny0C1 e4ny0D1 | ||
4Q9S | Predicted | e4q9sA1 | ||
6I8Z | Predicted | e6i8zA1 | ||
6LES | Predicted | e6lesY2 e6lesB1 |