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 |
---|---|---|---|---|
Q16539 | Download | Predicted | Q16539_F1_nD1 | Protein kinase/SAICAR synthase/ATP-grasp |
1A9U | Predicted | e1a9uA1 | ||
1BL6 | Predicted | e1bl6A1 | ||
1BL7 | Predicted | e1bl7A1 | ||
1BMK | Predicted | e1bmkA1 | ||
1DI9 | Predicted | e1di9A1 | ||
1IAN | Predicted | e1ianA1 | ||
1KV1 | Predicted | e1kv1A1 | ||
1KV2 | Predicted | e1kv2A1 | ||
1M7Q | Predicted | e1m7qA1 | ||
1OUK | Predicted | e1oukA1 | ||
1OUY | Predicted | e1ouyA1 | ||
1OVE | Predicted | e1oveA1 | ||
1OZ1 | Predicted | e1oz1A1 | ||
1R39 | Predicted | e1r39A1 | ||
1R3C | Predicted | e1r3cA1 | ||
1W7H | Predicted | e1w7hA1 | ||
1W82 | Predicted | e1w82A1 | ||
1W83 | Predicted | e1w83A1 | ||
1W84 | Predicted | e1w84A1 | ||
1WBN | Predicted | e1wbnA1 | ||
1WBO | Predicted | e1wboA1 | ||
1WBS | Predicted | e1wbsA1 | ||
1WBT | Predicted | e1wbtA1 | ||
1WBV | Predicted | e1wbvA1 | ||
1WBW | Predicted | e1wbwA1 | ||
1WFC | Predicted | e1wfcA1 | ||
1YQJ | Predicted | e1yqjA1 | ||
1ZYJ | Predicted | e1zyjA1 | ||
1ZZ2 | Predicted | e1zz2A1 | ||
1ZZL | Predicted | e1zzlA1 | ||
2BAJ | Predicted | e2bajA1 | ||
2BAK | Predicted | e2bakA1 | ||
2BAL | Predicted | e2balA1 | ||
2BAQ | Predicted | e2baqA1 | ||
2FSL | Predicted | e2fslX1 | ||
2FSM | Predicted | e2fsmX1 | ||
2FSO | Predicted | e2fsoX1 | ||
2FST | Predicted | e2fstX1 | ||
2GFS | Predicted | e2gfsA1 | ||
2I0H | Predicted | e2i0hA1 | ||
2LGC | Predicted | e2lgcA1 | ||
2NPQ | Predicted | e2npqA1 | ||
2OKR | Predicted | e2okrA1 e2okrD1 | ||
2ONL | Predicted | e2onlB1 e2onlA1 | ||
2QD9 | Predicted | e2qd9A1 | ||
2RG5 | Predicted | e2rg5A1 | ||
2RG6 | Predicted | e2rg6A1 | ||
2Y8O | Predicted | e2y8oA2 | ||
2YIS | Predicted | e2yisA1 | ||
2YIW | Predicted | e2yiwA1 | ||
2YIX | Predicted | e2yixA1 | ||
2ZAZ | Predicted | e2zazA1 | ||
2ZB0 | Predicted | e2zb0A1 | ||
2ZB1 | Predicted | e2zb1A1 | ||
3BV2 | Predicted | e3bv2A1 | ||
3BV3 | Predicted | e3bv3A1 | ||
3BX5 | Predicted | e3bx5A1 | ||
3C5U | Predicted | e3c5uA1 | ||
3CTQ | Predicted | e3ctqA1 | ||
3D7Z | Predicted | e3d7zA1 | ||
3D83 | Predicted | e3d83A1 | ||
3DS6 | Predicted | e3ds6A1 e3ds6C1 e3ds6D1 e3ds6B1 | ||
3DT1 | Predicted | e3dt1A1 | ||
3E92 | Predicted | e3e92A1 | ||
3E93 | Predicted | e3e93A1 | ||
3FC1 | Predicted | e3fc1X1 | ||
3FI4 | Predicted | e3fi4A1 | ||
3FKL | Predicted | e3fklA1 | ||
3FKN | Predicted | e3fknA1 | ||
3FKO | Predicted | e3fkoA1 | ||
3FL4 | Predicted | e3fl4A1 | ||
3FLN | Predicted | e3flnC1 | ||
3FLQ | Predicted | e3flqA1 | ||
3FLS | Predicted | e3flsA1 | ||
3FLW | Predicted | e3flwA1 | ||
3FLY | Predicted | e3flyA1 | ||
3FLZ | Predicted | e3flzA1 | ||
3FMH | Predicted | e3fmhA1 | ||
3FMJ | Predicted | e3fmjA1 | ||
3FMK | Predicted | e3fmkA1 | ||
3FML | Predicted | e3fmlA1 | ||
3FMM | Predicted | e3fmmA1 | ||
3FMN | Predicted | e3fmnA1 | ||
3FSF | Predicted | e3fsfA1 | ||
3FSK | Predicted | e3fskA1 | ||
3GC7 | Predicted | e3gc7A1 | ||
3GCP | Predicted | e3gcpA1 | ||
3GCQ | Predicted | e3gcqA1 | ||
3GCS | Predicted | e3gcsA1 | ||
3GCU | Predicted | e3gcuA1 e3gcuB1 | ||
3GCV | Predicted | e3gcvA1 | ||
3GFE | Predicted | e3gfeA1 | ||
3GI3 | Predicted | e3gi3A1 | ||
3HA8 | Predicted | e3ha8A1 | ||
3HEC | Predicted | e3hecA1 | ||
3HEG | Predicted | e3hegA1 | ||
3HL7 | Predicted | e3hl7A1 | ||
3HLL | Predicted | e3hllA1 | ||
3HP2 | Predicted | e3hp2A1 | ||
3HP5 | Predicted | e3hp5A1 | ||
3HRB | Predicted | e3hrbA1 | ||
3HUB | Predicted | e3hubA1 | ||
3HUC | Predicted | e3hucA1 | ||
3HV3 | Predicted | e3hv3A1 | ||
3HV4 | Predicted | e3hv4A1 e3hv4B1 | ||
3HV5 | Predicted | e3hv5A1 e3hv5B1 | ||
3HV6 | Predicted | e3hv6A1 | ||
3HV7 | Predicted | e3hv7A1 | ||
3HVC | Predicted | e3hvcA1 | ||
3IPH | Predicted | e3iphA1 | ||
3ITZ | Predicted | e3itzA1 | ||
3IW5 | Predicted | e3iw5A1 | ||
3IW6 | Predicted | e3iw6A1 | ||
3IW7 | Predicted | e3iw7A1 | ||
3IW8 | Predicted | e3iw8A1 | ||
3K3I | Predicted | e3k3iA1 | ||
3K3J | Predicted | e3k3jA1 | ||
3KF7 | Predicted | e3kf7A1 | ||
3KQ7 | Predicted | e3kq7A1 | ||
3L8S | Predicted | e3l8sA1 | ||
3L8X | Predicted | e3l8xA1 | ||
3LFA | Predicted | e3lfaA1 | ||
3LFB | Predicted | e3lfbA1 | ||
3LFC | Predicted | e3lfcA1 | ||
3LFD | Predicted | e3lfdA1 | ||
3LFE | Predicted | e3lfeA1 | ||
3LFF | Predicted | e3lffA1 | ||
3LHJ | Predicted | e3lhjA1 | ||
3MGY | Predicted | e3mgyA1 | ||
3MH0 | Predicted | e3mh0A1 | ||
3MH1 | Predicted | e3mh1A1 | ||
3MH2 | Predicted | e3mh2A1 | ||
3MH3 | Predicted | e3mh3A1 | ||
3MPA | Predicted | e3mpaA1 | ||
3MPT | Predicted | e3mptA1 | ||
3MVL | Predicted | e3mvlA1 e3mvlB1 | ||
3MVM | Predicted | e3mvmA1 e3mvmB1 | ||
3MW1 | Predicted | e3mw1A1 | ||
3NEW | Predicted | e3newA1 | ||
3NNU | Predicted | e3nnuA1 | ||
3NNV | Predicted | e3nnvA1 | ||
3NNW | Predicted | e3nnwA1 | ||
3NNX | Predicted | e3nnxA1 | ||
3NWW | Predicted | e3nwwA1 | ||
3O8P | Predicted | e3o8pA1 | ||
3O8T | Predicted | e3o8tA1 | ||
3O8U | Predicted | e3o8uA1 | ||
3OBG | Predicted | e3obgA1 | ||
3OBJ | Predicted | e3objA1 | ||
3OC1 | Predicted | e3oc1A1 | ||
3OCG | Predicted | e3ocgA1 | ||
3OD6 | Predicted | e3od6X1 | ||
3ODY | Predicted | e3odyX1 | ||
3ODZ | Predicted | e3odzX1 | ||
3OEF | Predicted | e3oefX1 | ||
3PG3 | Predicted | e3pg3A1 | ||
3QUD | Predicted | e3qudA2 | ||
3QUE | Predicted | e3queA2 | ||
3RIN | Predicted | e3rinA2 | ||
3ROC | Predicted | e3rocA1 | ||
3S3I | Predicted | e3s3iA1 | ||
3S4Q | Predicted | e3s4qA2 | ||
3U8W | Predicted | e3u8wA2 | ||
3UVP | Predicted | e3uvpA1 | ||
3UVQ | Predicted | e3uvqA2 | ||
3UVR | Predicted | e3uvrA1 | ||
3ZS5 | Predicted | e3zs5A2 | ||
3ZSG | Predicted | e3zsgA2 | ||
3ZSH | Predicted | e3zshA2 | ||
3ZSI | Predicted | e3zsiA2 | ||
3ZYA | Predicted | e3zyaA1 | ||
4A9Y | Predicted | e4a9yA2 | ||
4AA0 | Predicted | e4aa0A2 | ||
4AA4 | Predicted | e4aa4A1 | ||
4AA5 | Predicted | e4aa5A1 | ||
4AAC | Predicted | e4aacA1 | ||
4DLI | Predicted | e4dliA2 | ||
4DLJ | Predicted | e4dljA1 | ||
4E5A | Predicted | e4e5aX1 | ||
4E5B | Predicted | e4e5bA2 | ||
4E6A | Predicted | e4e6aA2 | ||
4E6C | Predicted | e4e6cA2 | ||
4E8A | Predicted | e4e8aA2 | ||
4EH2 | Predicted | e4eh2A2 | ||
4EH3 | Predicted | e4eh3A1 | ||
4EH4 | Predicted | e4eh4A2 | ||
4EH5 | Predicted | e4eh5A2 | ||
4EH6 | Predicted | e4eh6A2 | ||
4EH7 | Predicted | e4eh7A2 | ||
4EH8 | Predicted | e4eh8A2 | ||
4EH9 | Predicted | e4eh9A2 | ||
4EHV | Predicted | e4ehvA2 | ||
4EWQ | Predicted | e4ewqA1 | ||
4F9W | Predicted | e4f9wA2 | ||
4F9Y | Predicted | e4f9yA2 | ||
4FA2 | Predicted | e4fa2A2 | ||
4GEO | Predicted | e4geoA1 | ||
4KIN | Predicted | e4kinD1 e4kinB1 e4kinC1 e4kinA1 | ||
4KIP | Predicted | e4kipA1 e4kipB1 | ||
4KIQ | Predicted | e4kiqA1 e4kiqB1 e4kiqC1 e4kiqD1 | ||
4L8M | Predicted | e4l8mA1 | ||
4R3C | Predicted | e4r3cA1 | ||
4ZTH | Predicted | e4zthA1 | ||
5ETA | Predicted | e5etaB1 e5etaA1 | ||
5ETC | Predicted | e5etcA1 | ||
5ETF | Predicted | e5etfA1 | ||
5ETI | Predicted | e5etiA1 | ||
5ML5 | Predicted | e5ml5A1 | ||
5MTX | Predicted | e5mtxA1 | ||
5MTY | Predicted | e5mtyA1 | ||
5MZ3 | Predicted | e5mz3A1 | ||
5N63 | Predicted | e5n63A1 | ||
5N64 | Predicted | e5n64A1 | ||
5N65 | Predicted | e5n65A1 | ||
5N66 | Predicted | e5n66A1 | ||
5N67 | Predicted | e5n67A1 | ||
5N68 | Predicted | e5n68A1 | ||
5O8U | Predicted | e5o8uA1 | ||
5O8V | Predicted | e5o8vA1 | ||
5OMG | Predicted | e5omgA1 | ||
5OMH | Predicted | e5omhA1 | ||
5TBE | Predicted | e5tbeA1 | ||
5TCO | Predicted | e5tcoA1 | ||
5WJJ | Predicted | e5wjjA1 | ||
5XYX | Predicted | e5xyxA1 | ||
5XYY | Predicted | e5xyyA1 | ||
6ANL | Predicted | e6anlA1 | ||
6HWT | Predicted | e6hwtA1 | ||
6HWU | Predicted | e6hwuA1 | ||
6HWV | Predicted | e6hwvA1 | ||
6M95 | Predicted | e6m95A1 | ||
6M9L | Predicted | e6m9lA1 | ||
6OHD | Predicted | e6ohdA1 | ||
6SFI | Predicted | e6sfiA1 | ||
6SFJ | Predicted | e6sfjA1 | ||
6SFK | Predicted | e6sfkA1 | ||
6SFO | Predicted | e6sfoA1 |