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 |
---|---|---|---|---|
P08581 | Download | Predicted | P08581_F1_nD7 | Protein kinase/SAICAR synthase/ATP-grasp |
1R0P | Predicted | e1r0pA1 | ||
1R1W | Predicted | e1r1wA1 | ||
1SHY | Predicted | e1shyB1 e1shyB2 | ||
1SSL | Predicted | e1sslA1 | ||
2G15 | Predicted | e2g15A1 | ||
2RFN | Predicted | e2rfnA1 e2rfnB1 | ||
2RFS | Predicted | e2rfsA1 | ||
2UZX | Predicted | e2uzxB2 e2uzxD2 e2uzxB1 e2uzxD1 e2uzxB3 e2uzxD3 | ||
2UZY | Predicted | e2uzyB3 e2uzyD2 e2uzyB4 e2uzyD3 e2uzyB1 e2uzyD1 e2uzyB2 e2uzyD4 | ||
2WD1 | Predicted | e2wd1A1 | ||
2WGJ | Predicted | e2wgjA1 | ||
2WKM | Predicted | e2wkmA1 | ||
3A4P | Predicted | e3a4pA1 | ||
3C1X | Predicted | e3c1xA1 | ||
3CCN | Predicted | e3ccnA1 | ||
3CD8 | Predicted | e3cd8A1 | ||
3CE3 | Predicted | e3ce3A1 | ||
3CTH | Predicted | e3cthA1 | ||
3CTJ | Predicted | e3ctjA1 | ||
3DKC | Predicted | e3dkcA1 | ||
3DKF | Predicted | e3dkfA1 | ||
3DKG | Predicted | e3dkgA1 | ||
3EFJ | Predicted | e3efjA1 e3efjB1 | ||
3EFK | Predicted | e3efkA1 e3efkB1 | ||
3F66 | Predicted | e3f66B1 e3f66A1 | ||
3F82 | Predicted | e3f82A1 | ||
3I5N | Predicted | e3i5nA1 | ||
3L8V | Predicted | e3l8vA1 | ||
3LQ8 | Predicted | e3lq8A1 | ||
3Q6U | Predicted | e3q6uA1 | ||
3Q6W | Predicted | e3q6wA1 | ||
3QTI | Predicted | e3qtiB1 e3qtiA1 | ||
3R7O | Predicted | e3r7oA1 | ||
3RHK | Predicted | e3rhkA1 e3rhkB1 | ||
3U6H | Predicted | e3u6hA1 | ||
3U6I | Predicted | e3u6iA2 | ||
3VW8 | Predicted | e3vw8A2 | ||
3ZBX | Predicted | e3zbxA1 | ||
3ZC5 | Predicted | e3zc5A1 | ||
3ZCL | Predicted | e3zclA1 | ||
3ZXZ | Predicted | e3zxzA1 | ||
3ZZE | Predicted | e3zzeA1 | ||
4AOI | Predicted | e4aoiA1 | ||
4AP7 | Predicted | e4ap7A2 | ||
4DEG | Predicted | e4degA1 | ||
4DEH | Predicted | e4dehA2 | ||
4DEI | Predicted | e4deiA2 | ||
4EEV | Predicted | e4eevA1 | ||
4GG5 | Predicted | e4gg5A1 | ||
4GG7 | Predicted | e4gg7A2 | ||
4IWD | Predicted | e4iwdA1 | ||
4K3J | Predicted | e4k3jB1 e4k3jB2 | ||
4KNB | Predicted | e4knbB1 e4knbD1 e4knbA1 e4knbC1 | ||
4MXC | Predicted | e4mxcA1 | ||
4O3T | Predicted | e4o3tB1 e4o3tB2 | ||
4O3U | Predicted | e4o3uB2 e4o3uB1 | ||
4R1V | Predicted | e4r1vA1 | ||
4R1Y | Predicted | e4r1yA1 | ||
4XMO | Predicted | e4xmoA1 | ||
4XYF | Predicted | e4xyfA1 | ||
5DG5 | Predicted | e5dg5A1 e5dg5B1 | ||
5EOB | Predicted | e5eobA1 | ||
5EYC | Predicted | e5eycA1 | ||
5EYD | Predicted | e5eydA1 | ||
5HLW | Predicted | e5hlwA1 | ||
5HNI | Predicted | e5hniX1 e5hniY1 | ||
5HO6 | Predicted | e5ho6A1 | ||
5HOA | Predicted | e5hoaA1 | ||
5HOR | Predicted | e5horA1 | ||
5HTI | Predicted | e5htiA1 | ||
5LSP | Predicted | e5lspA1 e5lspP1 e5lspA2 e5lspP2 e5lspA3 e5lspP3 | ||
5T3Q | Predicted | e5t3qA1 | ||
5UAB | Predicted | e5uabA1 | ||
5UAD | Predicted | e5uadA1 | ||
5YA5 | Predicted | e5ya5A1 | ||
6GCU | Predicted | e6gcuA4 e6gcuD1 e6gcuA1 e6gcuD2 e6gcuA2 e6gcuD3 e6gcuA3 e6gcuD4 | ||
6I04 | Predicted | e6i04A1 e6i04B1 | ||
6SD9 | Predicted | e6sd9A1 | ||
6SDC | Predicted | e6sdcA1 | ||
6SDD | Predicted | e6sddA1 | ||
6SDE | Predicted | e6sdeA1 |