PDB ligand accession: n/a
DrugBank: DB14840
InChI Key:
SMILES: CCN1C(=O)C(=CC2=C1C=C(NC)N=C2)C1=C(Br)C=C(F)C(NC(=O)NC2=CC=CC=C2)=C1
Drug action: inhibitor
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name |
|---|---|---|---|---|
| P35968 | Download | Predicted | P35968_F1_nD3 P35968_F1_nD9 P35968_F1_nD4 P35968_F1_nD5 | Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich |
| 1VR2 | Predicted | e1vr2A1 | ||
| 1Y6A | Predicted | e1y6aA1 | ||
| 1Y6B | Predicted | e1y6bA1 | ||
| 1YWN | Predicted | e1ywnA1 | ||
| 2MET | Predicted | e2metA1 e2metB1 e2metC1 | ||
| 2MEU | Predicted | e2meuA1 e2meuB1 | ||
| 2OH4 | Predicted | e2oh4A1 | ||
| 2P2H | Predicted | e2p2hA1 | ||
| 2P2I | Predicted | e2p2iA1 e2p2iB1 | ||
| 2QU5 | Predicted | e2qu5A1 | ||
| 2QU6 | Predicted | e2qu6A2 e2qu6B1 | ||
| 2RL5 | Predicted | e2rl5A1 | ||
| 2X1W | Predicted | e2x1wM1 e2x1wN1 e2x1wO1 e2x1wL4 e2x1wO2 e2x1wN2 e2x1wM2 e2x1wL3 | ||
| 2X1X | Predicted | e2x1xR4 e2x1xR3 | ||
| 2XIR | Predicted | e2xirA1 | ||
| 3B8Q | Predicted | e3b8qB1 e3b8qA2 | ||
| 3B8R | Predicted | e3b8rA1 e3b8rB1 | ||
| 3BE2 | Predicted | e3be2A2 | ||
| 3C7Q | Predicted | e3c7qA1 | ||
| 3CJF | Predicted | e3cjfA1 | ||
| 3CJG | Predicted | e3cjgA1 | ||
| 3CP9 | Predicted | e3cp9A1 e3cp9B1 | ||
| 3CPB | Predicted | e3cpbB1 e3cpbA2 | ||
| 3CPC | Predicted | e3cpcB1 e3cpcA2 | ||
| 3DTW | Predicted | e3dtwB1 e3dtwA2 | ||
| 3EFL | Predicted | e3eflB1 e3eflA2 | ||
| 3EWH | Predicted | e3ewhA1 | ||
| 3KVQ | Predicted | e3kvqA1 | ||
| 3S35 | Predicted | e3s35X1 | ||
| 3S36 | Predicted | e3s36X1 | ||
| 3S37 | Predicted | e3s37X1 | ||
| 3U6J | Predicted | e3u6jA1 | ||
| 3VHE | Predicted | e3vheA1 | ||
| 3VHK | Predicted | e3vhkA1 | ||
| 3VID | Predicted | e3vidA1 | ||
| 3VNT | Predicted | e3vntA1 | ||
| 3VO3 | Predicted | e3vo3A1 | ||
| 3WZD | Predicted | e3wzdA1 | ||
| 3WZE | Predicted | e3wzeA1 | ||
| 4AG8 | Predicted | e4ag8A1 | ||
| 4AGC | Predicted | e4agcA1 | ||
| 4AGD | Predicted | e4agdA2 | ||
| 4ASD | Predicted | e4asdA2 | ||
| 4ASE | Predicted | e4aseA2 | ||
| 5EW3 | Predicted | e5ew3A1 | ||
| 5OYJ | Predicted | e5oyjD1 e5oyjC1 e5oyjD2 e5oyjC2 | ||
| 6GQO | Predicted | e6gqoA1 | ||
| 6GQP | Predicted | e6gqpA1 | ||
| 6GQQ | Predicted | e6gqqA1 |