PDB ligand accession: B12
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: LKVIQTCSMMVGFU-DWSMJLPVSA-N
SMILES: Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Tetrapyrroles and derivatives
- Subclass: Corrinoids
- Class: Tetrapyrroles and derivatives
- Superclass: Organoheterocyclic compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 6REQ | Download | Experimental | e6reqA2 e6reqA1 e6reqC2 e6reqC1 | Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel | LigPlot |
| 5REQ | Download | Experimental | e5reqA2 e5reqA1 e5reqC2 e5reqC1 | Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel | LigPlot |
| 1REQ | Download | Experimental | e1reqA2 e1reqA1 e1reqC2 e1reqC1 | Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel | LigPlot |
| 7REQ | Download | Experimental | e7reqA2 e7reqA1 e7reqC2 e7reqC1 | Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel | LigPlot |
| 1E1C | Download | Experimental | e1e1cA2 e1e1cA1 e1e1cC2 e1e1cC1 | Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel | LigPlot |
| 3REQ | Download | Experimental | e3reqA2 e3reqA1 | Flavodoxin-like TIM beta/alpha-barrel | LigPlot |
| 4REQ | Download | Experimental | e4reqA2 e4reqA1 e4reqC2 e4reqC1 | Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel | LigPlot |
| 2REQ | Download | Experimental | e2reqA2 e2reqA1 e2reqC2 e2reqC1 | Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel | LigPlot |