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 |
|---|---|---|---|---|---|
| 7X1R | Download | Experimental | e7x1rA1 e7x1rA2 e7x1rA3 e7x1rB3 e7x1rA1 e7x1rA3 e7x1rB1 e7x1rB2 e7x1rB3 | Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 3QFA | Download | Experimental | e3qfaA1 e3qfaA2 e3qfaA3 e3qfaB1 e3qfaA1 e3qfaA2 e3qfaB1 e3qfaB2 e3qfaB3 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like | LigPlot |
| 2CFY | Download | Experimental | e2cfyA4 e2cfyA5 e2cfyA6 e2cfyB6 e2cfyA4 e2cfyA6 e2cfyB4 e2cfyB5 e2cfyB6 e2cfyC4 e2cfyC5 e2cfyC6 e2cfyD6 e2cfyC6 e2cfyD4 e2cfyD5 e2cfyD6 e2cfyE4 e2cfyE5 e2cfyF4 | Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like | LigPlot |
| 2ZZB | Download | Experimental | e2zzbA1 e2zzbA2 e2zzbA3 e2zzbB1 e2zzbA1 e2zzbA2 e2zzbB1 e2zzbB2 e2zzbB3 e2zzbD6 e2zzbC1 e2zzbC2 e2zzbC3 e2zzbD4 e2zzbD5 e2zzbD6 e2zzbC1 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 2ZZ0 | Download | Experimental | e2zz0A1 e2zz0A2 e2zz0A3 e2zz0B1 e2zz0A1 e2zz0A2 e2zz0B1 e2zz0B2 e2zz0B3 e2zz0D6 e2zz0C1 e2zz0C2 e2zz0C3 e2zz0D4 e2zz0D5 e2zz0D6 e2zz0C1 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 2J3N | Download | Experimental | e2j3nA1 e2j3nA2 e2j3nA3 e2j3nB1 e2j3nA1 e2j3nA2 e2j3nB1 e2j3nB2 e2j3nB3 e2j3nC1 e2j3nC2 e2j3nC3 e2j3nD1 e2j3nC1 e2j3nD1 e2j3nD2 e2j3nD3 e2j3nE1 e2j3nE2 e2j3nE3 e2j3nF1 e2j3nE1 e2j3nE2 e2j3nE3 e2j3nF1 e2j3nF2 e2j3nF3 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like | LigPlot |
| 2ZZC | Download | Experimental | e2zzcB6 e2zzcA1 e2zzcA2 e2zzcA3 e2zzcB4 e2zzcB5 e2zzcB6 e2zzcA1 e2zzcA2 e2zzcD6 e2zzcC1 e2zzcC2 e2zzcC3 e2zzcD4 e2zzcD5 e2zzcD6 e2zzcC1 | FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 3QFB | Download | Experimental | e3qfbA1 e3qfbA2 e3qfbA3 e3qfbB1 e3qfbA1 e3qfbA2 e3qfbB1 e3qfbB2 e3qfbB3 | FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like | LigPlot |