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 |
---|---|---|---|---|
P36897 | Download | Predicted | P36897_F1_nD2 | Protein kinase/SAICAR synthase/ATP-grasp |
1B6C | Predicted | e1b6cF1 e1b6cH1 e1b6cD1 e1b6cB1 | ||
1IAS | Predicted | e1iasA1 e1iasB1 e1iasC1 e1iasD1 e1iasE1 | ||
1PY5 | Predicted | e1py5A1 | ||
1RW8 | Predicted | e1rw8A1 | ||
1VJY | Predicted | e1vjyA1 | ||
2L5S | Predicted | e2l5sA1 | ||
2PJY | Predicted | e2pjyC1 | ||
2WOT | Predicted | e2wotA1 | ||
2WOU | Predicted | e2wouA1 | ||
2X7O | Predicted | e2x7oA1 e2x7oB1 e2x7oC1 e2x7oD1 e2x7oE1 | ||
3FAA | Predicted | e3faaA1 e3faaB1 e3faaC1 e3faaD1 e3faaE1 | ||
3GXL | Predicted | e3gxlA1 | ||
3HMM | Predicted | e3hmmA1 | ||
3KCF | Predicted | e3kcfA1 e3kcfB1 e3kcfC1 e3kcfD1 e3kcfE1 | ||
3KFD | Predicted | e3kfdI1 e3kfdJ1 e3kfdK1 e3kfdL1 | ||
3TZM | Predicted | e3tzmA1 | ||
4X0M | Predicted | e4x0mA1 | ||
4X2F | Predicted | e4x2fA1 | ||
4X2G | Predicted | e4x2gA1 | ||
4X2J | Predicted | e4x2jA1 | ||
4X2K | Predicted | e4x2kA1 | ||
4X2N | Predicted | e4x2nA1 | ||
5E8S | Predicted | e5e8sA1 | ||
5E8T | Predicted | e5e8tA1 | ||
5E8U | Predicted | e5e8uA1 | ||
5E8W | Predicted | e5e8wA1 | ||
5E8X | Predicted | e5e8xA1 | ||
5E8Z | Predicted | e5e8zA1 | ||
5E90 | Predicted | e5e90A1 | ||
5FRI | Predicted | e5friA1 | ||
5QIK | Predicted | e5qikA1 | ||
5QIL | Predicted | e5qilA1 | ||
5QIM | Predicted | e5qimA1 | ||
5USQ | Predicted | e5usqA1 | ||
6B8Y | Predicted | e6b8yA1 | ||
6MAC | Predicted | e6macK1 |