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: n/a
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 |
---|---|---|---|---|---|
2BF4 | Download | Experimental | e2bf4A1 e2bf4A2 e2bf4A4 e2bf4B1 e2bf4B4 e2bf4B3 | Ferredoxin reductase-like, C-terminal NADP-linked domain cradle loop barrel NADPH-cytochrome p450 reductase helical insertion domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain | LigPlot |
3FJO | Download | Experimental | e3fjoA4 e3fjoA5 e3fjoA3 | NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain | LigPlot |
2BPO | Download | Experimental | e2bpoA1 e2bpoA4 e2bpoA2 e2bpoB1 e2bpoB4 e2bpoB5 | NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain | LigPlot |
2BN4 | Download | Experimental | e2bn4A1 e2bn4A4 e2bn4A2 e2bn4B1 e2bn4B4 e2bn4B2 | NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain NADPH-cytochrome p450 reductase helical insertion domain cradle loop barrel Ferredoxin reductase-like, C-terminal NADP-linked domain | LigPlot |