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 |
|---|---|---|---|---|
| P33981 | Download | Predicted | P33981_F1_nD2 | Protein kinase/SAICAR synthase/ATP-grasp |
| 2X9E | Predicted | e2x9eA1 | ||
| 2ZMC | Predicted | e2zmcA1 | ||
| 2ZMD | Predicted | e2zmdA1 | ||
| 3CEK | Predicted | e3cekA1 | ||
| 3DBQ | Predicted | e3dbqA1 | ||
| 3GFW | Predicted | e3gfwA1 | ||
| 3H9F | Predicted | e3h9fA1 | ||
| 3HMN | Predicted | e3hmnA1 | ||
| 3HMO | Predicted | e3hmoA1 | ||
| 3HMP | Predicted | e3hmpA1 | ||
| 3VQU | Predicted | e3vquA1 | ||
| 3W1F | Predicted | e3w1fA1 | ||
| 3WYX | Predicted | e3wyxA1 | ||
| 3WYY | Predicted | e3wyyA1 | ||
| 3WZJ | Predicted | e3wzjA1 | ||
| 3WZK | Predicted | e3wzkA1 | ||
| 4B94 | Predicted | e4b94B1 e4b94C1 e4b94A1 e4b94D1 | ||
| 4BHZ | Predicted | e4bhzA2 | ||
| 4BI0 | Predicted | e4bi0A1 | ||
| 4BI1 | Predicted | e4bi1A2 | ||
| 4BI2 | Predicted | e4bi2A2 | ||
| 4C4E | Predicted | e4c4eA1 | ||
| 4C4F | Predicted | e4c4fA1 | ||
| 4C4G | Predicted | e4c4gA1 | ||
| 4C4H | Predicted | e4c4hA1 | ||
| 4C4I | Predicted | e4c4iA1 | ||
| 4C4J | Predicted | e4c4jA1 | ||
| 4CV8 | Predicted | e4cv8A1 | ||
| 4CV9 | Predicted | e4cv9A1 | ||
| 4CVA | Predicted | e4cvaA1 | ||
| 4D2S | Predicted | e4d2sA1 | ||
| 4H7X | Predicted | e4h7xB2 e4h7xA2 | ||
| 4H7Y | Predicted | e4h7yA1 e4h7yB2 e4h7yD2 e4h7yC2 | ||
| 4JS8 | Predicted | e4js8A1 | ||
| 4JT3 | Predicted | e4jt3A1 | ||
| 4O6L | Predicted | e4o6lA1 e4o6lB1 | ||
| 4ZEG | Predicted | e4zegA1 | ||
| 5AP0 | Predicted | e5ap0A1 | ||
| 5AP1 | Predicted | e5ap1A1 | ||
| 5AP2 | Predicted | e5ap2A1 | ||
| 5AP3 | Predicted | e5ap3A1 | ||
| 5AP4 | Predicted | e5ap4A1 | ||
| 5AP5 | Predicted | e5ap5A1 | ||
| 5AP6 | Predicted | e5ap6A1 | ||
| 5AP7 | Predicted | e5ap7A1 | ||
| 5EH0 | Predicted | e5eh0A1 | ||
| 5EHL | Predicted | e5ehlA1 | ||
| 5EHO | Predicted | e5ehoA1 | ||
| 5EHY | Predicted | e5ehyA1 | ||
| 5EI2 | Predicted | e5ei2A1 | ||
| 5EI6 | Predicted | e5ei6A1 | ||
| 5EI8 | Predicted | e5ei8A1 | ||
| 5LJJ | Predicted | e5ljjA1 | ||
| 5MRB | Predicted | e5mrbA1 | ||
| 5N7V | Predicted | e5n7vA1 | ||
| 5N84 | Predicted | e5n84A1 | ||
| 5N87 | Predicted | e5n87A1 | ||
| 5N93 | Predicted | e5n93A1 | ||
| 5N9S | Predicted | e5n9sA1 | ||
| 5NA0 | Predicted | e5na0A1 | ||
| 5NAD | Predicted | e5nadA1 | ||
| 5NTT | Predicted | e5nttA1 | ||
| 5O91 | Predicted | e5o91A1 | ||
| 6B4W | Predicted | e6b4wA1 | ||
| 6GVJ | Predicted | e6gvjA1 | ||
| 6H3K | Predicted | e6h3kA1 | ||
| 6N6O | Predicted | e6n6oA1 |