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 |
---|---|---|---|---|
O96013 | Download | Predicted | O96013_F1_nD2 | Protein kinase/SAICAR synthase/ATP-grasp |
2BVA | Predicted | e2bvaA1 e2bvaB1 | ||
2CDZ | Predicted | e2cdzA1 | ||
2J0I | Predicted | e2j0iA1 | ||
2Q0N | Predicted | e2q0nA1 | ||
2X4Z | Predicted | e2x4zA1 | ||
4APP | Predicted | e4appA1 | ||
4FIE | Predicted | e4fieB2 e4fieA1 | ||
4FIF | Predicted | e4fifA1 e4fifB1 | ||
4FIG | Predicted | e4figA1 e4figB1 | ||
4FIH | Predicted | e4fihA1 | ||
4FII | Predicted | e4fiiA1 | ||
4FIJ | Predicted | e4fijA1 | ||
4JDH | Predicted | e4jdhA1 | ||
4JDI | Predicted | e4jdiA1 | ||
4JDJ | Predicted | e4jdjA1 | ||
4JDK | Predicted | e4jdkA1 | ||
4L67 | Predicted | e4l67A1 | ||
4NJD | Predicted | e4njdA1 | ||
4O0V | Predicted | e4o0vA1 | ||
4O0X | Predicted | e4o0xA1 | ||
4O0Y | Predicted | e4o0yA1 | ||
4XBU | Predicted | e4xbuA1 | ||
5BMS | Predicted | e5bmsA1 | ||
5I0B | Predicted | e5i0bA1 | ||
5UPK | Predicted | e5upkA1 e5upkB1 | ||
5UPL | Predicted | e5uplA1 | ||
5VED | Predicted | e5vedA1 | ||
5VEE | Predicted | e5veeA1 | ||
5VEF | Predicted | e5vefA1 | ||
5XVA | Predicted | e5xvaA1 | ||
5XVF | Predicted | e5xvfA1 | ||
5XVG | Predicted | e5xvgA1 | ||
5ZJW | Predicted | e5zjwA1 |