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 Q9XSC9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2V3N	Download	Experimental	e2v3nA3 e2v3nA2	Repetitive alpha hairpins beta-Grasp	LigPlot
2BB6	Download	Experimental	e2bb6A1 e2bb6A3 e2bb6B3 e2bb6B2 e2bb6C3 e2bb6C2 e2bb6D3 e2bb6D2	Repetitive alpha hairpins beta-Grasp Repetitive alpha hairpins beta-Grasp Repetitive alpha hairpins beta-Grasp Repetitive alpha hairpins beta-Grasp	LigPlot
2V3P	Download	Experimental	e2v3pA3 e2v3pA2	Repetitive alpha hairpins beta-Grasp	LigPlot
2BBC	Download	Experimental	e2bbcA3 e2bbcA2	Repetitive alpha hairpins beta-Grasp	LigPlot