PDB ligand accession: FAD
DrugBank: DB03147
PubChem:
ChEMBL:
InChI Key: VWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES: Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: Flavin nucleotides
- Subclass: None
- Class: Flavin nucleotides
- Superclass: Nucleosides, nucleotides, and analogues
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2E1Q | Download | Experimental | e2e1qA14 e2e1qA3 e2e1qA5 e2e1qB14 e2e1qB3 e2e1qB5 e2e1qC17 e2e1qC3 e2e1qC5 e2e1qD14 e2e1qD3 e2e1qD5 | FAD-linked reductases, C-terminal domain-like beta-Grasp FAD-binding domain-like FAD-linked reductases, C-terminal domain-like beta-Grasp FAD-binding domain-like FAD-linked reductases, C-terminal domain-like beta-Grasp FAD-binding domain-like FAD-linked reductases, C-terminal domain-like beta-Grasp FAD-binding domain-like | LigPlot |
2CKJ | Download | Experimental | e2ckjA17 e2ckjA18 e2ckjA6 e2ckjB14 e2ckjB2 e2ckjB5 e2ckjC17 e2ckjC2 e2ckjC5 e2ckjD3 e2ckjD4 e2ckjD5 | FAD-binding domain-like FAD-linked reductases, C-terminal domain-like beta-Grasp FAD-linked reductases, C-terminal domain-like FAD-binding domain-like beta-Grasp FAD-linked reductases, C-terminal domain-like FAD-binding domain-like beta-Grasp beta-Grasp FAD-linked reductases, C-terminal domain-like FAD-binding domain-like | LigPlot |