Ligand name: 3-[2-[[3-(2-CARBOXYETHYL)-5-[[3-ETHENYL-4-METHYL-5-[(2-METHYLPROPAN-2-YL)OXY]-1H-PYRROL-2-YL]METHYL]-4-METHYL-1H-PYRROL -2-YL]METHYL]-5-[(Z)-(4-ETHENYL-3-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-1H-PYRROL-3-YL]PROPANOIC ACID
PDB ligand accession: TBV
DrugBank: n/a
PubChem: 49867725
ChEMBL: n/a
InChI Key: JDQNAGCTUKHXGS-MWLSYYOVSA-N
SMILES: Cc1c(c([nH]c1Cc2c(c(c([nH]2)OC(C)(C)C)C)C=C)Cc3c(c(c([nH]3)C=C4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Tetrapyrroles and derivatives
      • Subclass: Bilirubins

List of proteins that are targets for TBV

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	Q43758_TBV	Q43758	L-ascorbate peroxidase (EC	n/a