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 |
|---|---|---|---|---|---|
| 2XIJ | Download | Experimental | e2xijA1 e2xijA2 | Flavodoxin-like TIM beta/alpha-barrel | LigPlot |
| 8DYL | Download | Experimental | e8dylB1 e8dylB2 | TIM beta/alpha-barrel Flavodoxin-like | LigPlot |
| 8DYJ | Download | Experimental | e8dyjB1 e8dyjB2 | TIM beta/alpha-barrel Flavodoxin-like | LigPlot |
| 2XIQ | Download | Experimental | e2xiqA3 e2xiqA4 e2xiqB3 e2xiqB4 | Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel | LigPlot |