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 |
|---|---|---|---|---|---|
| 1YI1 | Download | Experimental | e1yi1A2 e1yi1A3 e1yi1A1 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 7U1D | Download | Experimental | e7u1dA1 e7u1dA2 e7u1dA3 | Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 1YHZ | Download | Experimental | e1yhzA2 e1yhzA3 e1yhzA1 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 5K2O | Download | Experimental | e5k2oA1 e5k2oA2 e5k2oA3 | Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 5K6R | Download | Experimental | e5k6rA1 e5k6rA2 e5k6rA3 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 5K6Q | Download | Experimental | e5k6qA1 e5k6qA2 e5k6qA3 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 1YI0 | Download | Experimental | e1yi0A2 e1yi0A3 e1yi0A1 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 7U25 | Download | Experimental | e7u25A1 e7u25A2 e7u25A3 | Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 5K6T | Download | Experimental | e5k6tA1 e5k6tA2 e5k6tA3 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 1YBH | Download | Experimental | e1ybhA3 e1ybhA2 e1ybhA1 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 7U1U | Download | Experimental | e7u1uA1 e7u1uA2 e7u1uA3 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 8ET5 | Download | Experimental | e8et5A1 e8et5A2 e8et5A3 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 6VZ8 | Download | Experimental | e6vz8D1 e6vz8D2 e6vz8D3 e6vz8E1 e6vz8E2 e6vz8D2 e6vz8E1 e6vz8E2 e6vz8E3 e6vz8H1 e6vz8H2 e6vz8H3 e6vz8I3 e6vz8H2 e6vz8I1 e6vz8I2 e6vz8I3 e6vz8L1 e6vz8L2 e6vz8L3 e6vz8M2 e6vz8L1 e6vz8L2 e6vz8L3 e6vz8M1 e6vz8M2 e6vz8M3 e6vz8P1 e6vz8P2 e6vz8P3 e6vz8Q2 e6vz8P1 e6vz8P3 e6vz8Q1 e6vz8Q2 e6vz8Q3 | 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) 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) 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) 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) Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 5WJ1 | Download | Experimental | e5wj1A1 e5wj1A2 e5wj1A3 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 1Z8N | Download | Experimental | e1z8nA2 e1z8nA3 e1z8nA1 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 7TZZ | Download | Experimental | e7tzzA1 e7tzzA2 e7tzzA3 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 6U9H | Download | Experimental | e6u9hA1 e6u9hA2 e6u9hA3 e6u9hB2 e6u9hA2 e6u9hB1 e6u9hB2 e6u9hB3 e6u9hH1 e6u9hH2 e6u9hH3 e6u9hI2 e6u9hH2 e6u9hI1 e6u9hI2 e6u9hI3 e6u9hL1 e6u9hL2 e6u9hL3 e6u9hM1 e6u9hL1 e6u9hL2 e6u9hL3 e6u9hM1 e6u9hM2 e6u9hM3 e6u9hP1 e6u9hP2 e6u9hP3 e6u9hQ2 e6u9hP1 e6u9hP3 e6u9hQ1 e6u9hQ2 e6u9hQ3 | 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) 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) 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 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 Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 8ET4 | Download | Experimental | e8et4A1 e8et4A2 e8et4A3 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |
| 1YHY | Download | Experimental | e1yhyA2 e1yhyA3 e1yhyA1 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 5K3S | Download | Experimental | e5k3sA1 e5k3sA2 e5k3sA3 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |
| 7STQ | Download | Experimental | e7stqA1 e7stqA2 e7stqA3 | Rossmann-like Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |