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 |
---|---|---|---|---|
P30530 | Download | Predicted | P30530_F1_nD1 P30530_F1_nD2 P30530_F1_nD5 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp |
2C5D | Predicted | e2c5dC3 e2c5dD3 e2c5dC2 e2c5dD2 | ||
4RA0 | Predicted | e4ra0C1 e4ra0D1 e4ra0C2 e4ra0D2 | ||
5U6B | Predicted | e5u6bA1 e5u6bC1 e5u6bB1 e5u6bD1 | ||
5VXZ | Predicted | e5vxzC1 e5vxzD1 |