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 |
|---|---|---|---|---|---|
| 1JSC | Download | Experimental | e1jscA4 e1jscA5 e1jscA6 e1jscB4 e1jscB3 e1jscA4 e1jscA5 e1jscB4 e1jscB5 | Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 1T9A | Download | Experimental | e1t9aA3 e1t9aA2 e1t9aB2 e1t9aA1 e1t9aB3 e1t9aA2 e1t9aB2 e1t9aB1 e1t9aA1 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Rossmann-like | LigPlot |
| 1T9C | Download | Experimental | e1t9cA3 e1t9cA2 e1t9cB2 e1t9cA1 e1t9cB3 e1t9cA2 e1t9cB2 e1t9cA1 e1t9cB1 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Rossmann-like | LigPlot |
| 1N0H | Download | Experimental | e1n0hA3 e1n0hA2 e1n0hB2 e1n0hA1 e1n0hB3 e1n0hA2 e1n0hB2 e1n0hA1 e1n0hB1 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Rossmann-like | LigPlot |
| 5FEM | Download | Experimental | e5femA1 e5femA2 e5femA3 e5femB3 e5femA1 e5femA3 e5femB1 e5femB2 e5femB3 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 6BD3 | Download | Experimental | e6bd3A1 e6bd3A2 e6bd3A3 e6bd3B2 e6bd3A1 e6bd3A3 e6bd3B1 e6bd3B2 e6bd3B3 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 1T9D | Download | Experimental | e1t9dB2 e1t9dA3 e1t9dA2 e1t9dA1 e1t9dB2 e1t9dB3 e1t9dA2 e1t9dA1 e1t9dB1 e1t9dC2 e1t9dC3 e1t9dD2 e1t9dC1 e1t9dC2 e1t9dD3 e1t9dD2 e1t9dD1 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 1T9B | Download | Experimental | e1t9bA2 e1t9bA3 e1t9bB2 e1t9bA1 e1t9bA2 e1t9bB3 e1t9bB2 e1t9bA1 e1t9bB1 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Rossmann-like | LigPlot |
| 6U9D | Download | Experimental | e6u9dA1 e6u9dA2 e6u9dA3 e6u9dB1 e6u9dA2 e6u9dA3 e6u9dB1 e6u9dB2 e6u9dB3 e6u9dE1 e6u9dE2 e6u9dE3 e6u9dF2 e6u9dE1 e6u9dE3 e6u9dF1 e6u9dF2 e6u9dF3 e6u9dI1 e6u9dI2 e6u9dI3 e6u9dJ2 e6u9dI2 e6u9dJ1 e6u9dJ2 e6u9dJ3 e6u9dM1 e6u9dM2 e6u9dM3 e6u9dN1 e6u9dN2 e6u9dN3 e6u9dM1 e6u9dN1 e6u9dN2 e6u9dN3 e6u9dQ1 e6u9dQ2 e6u9dQ3 e6u9dR1 e6u9dR2 e6u9dQ2 e6u9dR1 e6u9dR2 e6u9dR3 e6u9dU1 e6u9dU2 e6u9dU3 e6u9dV1 e6u9dU1 e6u9dU2 e6u9dV1 e6u9dV2 e6u9dV3 | Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 5WKC | Download | Experimental | e5wkcA1 e5wkcA2 e5wkcA3 e5wkcD1 e5wkcB1 e5wkcB2 e5wkcB3 e5wkcE2 e5wkcE3 e5wkcB1 e5wkcE1 e5wkcE2 e5wkcE3 e5wkcA1 e5wkcA2 e5wkcD1 e5wkcD2 e5wkcD3 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 6BD9 | Download | Experimental | e6bd9A1 e6bd9A2 e6bd9A3 e6bd9B2 e6bd9A2 e6bd9A3 e6bd9B1 e6bd9B2 e6bd9B3 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 5IMS | Download | Experimental | e5imsA1 e5imsA2 e5imsA3 e5imsB3 e5imsA2 e5imsA3 e5imsB1 e5imsB2 e5imsB3 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |