Ligand name: COBALAMIN
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

List of PDB structures and/or AlphaFold models with target protein Q1LRY0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5CJT	Download	Experimental	e5cjtA2 e5cjtA3 e5cjtB1 e5cjtB3	TIM beta/alpha-barrel Flavodoxin-like Flavodoxin-like TIM beta/alpha-barrel	LigPlot
4XC6	Download	Experimental	e4xc6A1 e4xc6A3 e4xc6B2 e4xc6B3	Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel	LigPlot
5CJW	Download	Experimental	e5cjwA2 e5cjwA3 e5cjwB2 e5cjwB3	Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel	LigPlot
5CJU	Download	Experimental	e5cjuA1 e5cjuA3 e5cjuB1 e5cjuB2	TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like	LigPlot
5CJV	Download	Experimental	e5cjvA1 e5cjvA3 e5cjvB2 e5cjvB3	TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like	LigPlot