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 |
---|---|---|---|---|
P10721 | Download | Predicted | P10721_F1_nD6 | Protein kinase/SAICAR synthase/ATP-grasp |
1PKG | Predicted | e1pkgA1 e1pkgB1 | ||
1T45 | Predicted | e1t45A1 | ||
1T46 | Predicted | e1t46A1 | ||
2E9W | Predicted | e2e9wB10 e2e9wA9 e2e9wB12 e2e9wA11 e2e9wB13 e2e9wA12 e2e9wB11 e2e9wA10 e2e9wB9 e2e9wA8 | ||
2EC8 | Predicted | e2ec8A4 e2ec8A3 e2ec8A5 e2ec8A1 e2ec8A2 | ||
3G0E | Predicted | e3g0eA1 | ||
3G0F | Predicted | e3g0fA1 e3g0fB1 | ||
4HVS | Predicted | e4hvsA1 | ||
4K94 | Predicted | e4k94C2 e4k94C1 | ||
4K9E | Predicted | e4k9eC1 e4k9eC2 | ||
4PGZ | Predicted | e4pgzC2 e4pgzB2 e4pgzA1 e4pgzC1 e4pgzB1 e4pgzA2 | ||
4U0I | Predicted | e4u0iA1 | ||
6GQJ | Predicted | e6gqjA1 e6gqjB1 | ||
6GQK | Predicted | e6gqkA1 e6gqkB1 | ||
6GQL | Predicted | e6gqlA1 e6gqlB1 | ||
6GQM | Predicted | e6gqmA1 e6gqmB1 | ||
6HH1 | Predicted | e6hh1A1 | ||
6ITT | Predicted | e6ittA1 e6ittB1 | ||
6ITV | Predicted | e6itvA1 | ||
6KLA | Predicted | e6klaA1 | ||
6MOB | Predicted | e6mobA1 |