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 |
---|---|---|---|---|
P04629 | Download | Predicted | P04629_F1_nD3 P04629_F1_nD4 | Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp |
1HE7 | Predicted | e1he7A1 | ||
1WWA | Predicted | e1wwaX1 e1wwaY1 | ||
1WWW | Predicted | e1wwwX1 e1wwwY1 | ||
2IFG | Predicted | e2ifgA1 e2ifgB1 e2ifgA4 e2ifgB4 e2ifgA2 e2ifgB2 | ||
2N90 | Predicted | e2n90A1 e2n90B1 | ||
4AOJ | Predicted | e4aojA1 e4aojC1 e4aojB1 | ||
4CRP | Predicted | e4crpA1 | ||
4F0I | Predicted | e4f0iA1 e4f0iB2 | ||
4GT5 | Predicted | e4gt5A1 | ||
4PMM | Predicted | e4pmmA1 | ||
4PMP | Predicted | e4pmpA1 | ||
4PMS | Predicted | e4pmsA1 | ||
4PMT | Predicted | e4pmtA1 | ||
4YNE | Predicted | e4yneA1 | ||
4YPS | Predicted | e4ypsA1 | ||
5H3Q | Predicted | e5h3qA1 | ||
5I8A | Predicted | e5i8aA1 | ||
5JFS | Predicted | e5jfsA1 | ||
5JFV | Predicted | e5jfvA1 | ||
5JFW | Predicted | e5jfwA1 | ||
5JFX | Predicted | e5jfxA1 | ||
5KMI | Predicted | e5kmiA1 | ||
5KMJ | Predicted | e5kmjA1 | ||
5KMK | Predicted | e5kmkA1 | ||
5KML | Predicted | e5kmlA1 | ||
5KMM | Predicted | e5kmmA1 | ||
5KMN | Predicted | e5kmnA1 | ||
5KMO | Predicted | e5kmoA1 | ||
5KVT | Predicted | e5kvtA1 | ||
5WR7 | Predicted | e5wr7A1 | ||
6D1Y | Predicted | e6d1yA1 | ||
6D1Z | Predicted | e6d1zA1 | ||
6D20 | Predicted | e6d20A1 | ||
6D22 | Predicted | e6d22A1 | ||
6DKB | Predicted | e6dkbA1 | ||
6DKG | Predicted | e6dkgA1 | ||
6DKI | Predicted | e6dkiA1 | ||
6DKW | Predicted | e6dkwA1 e6dkwB1 | ||
6J5L | Predicted | e6j5lA1 | ||
6NPT | Predicted | e6nptA1 | ||
6NSP | Predicted | e6nspA1 | ||
6NSS | Predicted | e6nssA1 | ||
6PL1 | Predicted | e6pl1A1 | ||
6PL2 | Predicted | e6pl2A1 | ||
6PL3 | Predicted | e6pl3A1 |