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 |
---|---|---|---|---|
O75460 | Download | Predicted | O75460_F1_nD4 O75460_F1_nD3 | Four-helical up-and-down bundle Protein kinase/SAICAR synthase/ATP-grasp |
2HZ6 | Predicted | e2hz6A1 | ||
3P23 | Predicted | e3p23D2 e3p23B2 e3p23A2 e3p23C2 e3p23D1 e3p23B1 e3p23A1 e3p23C1 | ||
4U6R | Predicted | e4u6rA2 e4u6rA1 | ||
4YZ9 | Predicted | e4yz9A2 e4yz9B2 e4yz9C1 e4yz9A1 e4yz9C2 e4yz9B1 | ||
4YZC | Predicted | e4yzcA1 e4yzcB2 e4yzcA2 e4yzcB1 | ||
4YZD | Predicted | e4yzdA2 e4yzdB1 e4yzdC1 e4yzdA1 e4yzdC2 e4yzdB2 | ||
4Z7G | Predicted | e4z7gA2 e4z7gB1 e4z7gB2 e4z7gA1 | ||
4Z7H | Predicted | e4z7hA1 e4z7hB1 e4z7hA2 e4z7hB2 | ||
5HGI | Predicted | e5hgiA2 e5hgiA1 | ||
6HV0 | Predicted | e6hv0A2 e6hv0A1 | ||
6HX1 | Predicted | e6hx1A1 e6hx1A2 | ||
6SHC | Predicted | e6shcA1 | ||
6URC | Predicted | e6urcA1 e6urcB1 e6urcA2 e6urcB2 |