BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Date of publication Date in BindingDB Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID PubChem SID ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence 1 PDB ID(s) of Target Chain 1 UniProt (SwissProt) Recommended Name of Target Chain 1 UniProt (SwissProt) Entry Name of Target Chain 1 UniProt (SwissProt) Primary ID of Target Chain 1 UniProt (SwissProt) Secondary ID(s) of Target Chain 1 UniProt (SwissProt) Alternative ID(s) of Target Chain 1 UniProt (TrEMBL) Submitted Name of Target Chain 1 UniProt (TrEMBL) Entry Name of Target Chain 1 UniProt (TrEMBL) Primary ID of Target Chain 1 UniProt (TrEMBL) Secondary ID(s) of Target Chain 1 UniProt (TrEMBL) Alternative ID(s) of Target Chain 1 BindingDB Target Chain Sequence 2 PDB ID(s) of Target Chain 2 UniProt (SwissProt) Recommended Name of Target Chain 2 UniProt (SwissProt) Entry Name of Target Chain 2 UniProt (SwissProt) Primary ID of Target Chain 2 UniProt (SwissProt) Secondary ID(s) of Target Chain 2 UniProt (SwissProt) Alternative ID(s) of Target Chain 2 UniProt (TrEMBL) Submitted Name of Target Chain 2 UniProt (TrEMBL) Entry Name of Target Chain 2 UniProt (TrEMBL) Primary ID of Target Chain 2 UniProt (TrEMBL) Secondary ID(s) of Target Chain 2 UniProt (TrEMBL) Alternative ID(s) of Target Chain 2 BindingDB Target Chain Sequence 3 PDB ID(s) of Target Chain 3 UniProt (SwissProt) Recommended Name of Target Chain 3 UniProt (SwissProt) Entry Name of Target Chain 3 UniProt (SwissProt) Primary ID of Target Chain 3 UniProt (SwissProt) Secondary ID(s) of Target Chain 3 UniProt (SwissProt) Alternative ID(s) of Target Chain 3 UniProt (TrEMBL) Submitted Name of Target Chain 3 UniProt (TrEMBL) Entry Name of Target Chain 3 UniProt (TrEMBL) Primary ID of Target Chain 3 UniProt (TrEMBL) Secondary ID(s) of Target Chain 3 UniProt (TrEMBL) Alternative ID(s) of Target Chain 3 BindingDB Target Chain Sequence 4 PDB ID(s) of Target Chain 4 UniProt (SwissProt) Recommended Name of Target Chain 4 UniProt (SwissProt) Entry Name of Target Chain 4 UniProt (SwissProt) Primary ID of Target Chain 4 UniProt (SwissProt) Secondary ID(s) of Target Chain 4 UniProt (SwissProt) Alternative ID(s) of Target Chain 4 UniProt (TrEMBL) Submitted Name of Target Chain 4 UniProt (TrEMBL) Entry Name of Target Chain 4 UniProt (TrEMBL) Primary ID of Target Chain 4 UniProt (TrEMBL) Secondary ID(s) of Target Chain 4 UniProt (TrEMBL) Alternative ID(s) of Target Chain 4 BindingDB Target Chain Sequence 5 PDB ID(s) of Target Chain 5 UniProt (SwissProt) Recommended Name of Target Chain 5 UniProt (SwissProt) Entry Name of Target Chain 5 UniProt (SwissProt) Primary ID of Target Chain 5 UniProt (SwissProt) Secondary ID(s) of Target Chain 5 UniProt (SwissProt) Alternative ID(s) of Target Chain 5 UniProt (TrEMBL) Submitted Name of Target Chain 5 UniProt (TrEMBL) Entry Name of Target Chain 5 UniProt (TrEMBL) Primary ID of Target Chain 5 UniProt (TrEMBL) Secondary ID(s) of Target Chain 5 UniProt (TrEMBL) Alternative ID(s) of Target Chain 5 BindingDB Target Chain Sequence 6 PDB ID(s) of Target Chain 6 UniProt (SwissProt) Recommended Name of Target Chain 6 UniProt (SwissProt) Entry Name of Target Chain 6 UniProt (SwissProt) Primary ID of Target Chain 6 UniProt (SwissProt) Secondary ID(s) of Target Chain 6 UniProt (SwissProt) Alternative ID(s) of Target Chain 6 UniProt (TrEMBL) Submitted Name of Target Chain 6 UniProt (TrEMBL) Entry Name of Target Chain 6 UniProt (TrEMBL) Primary ID of Target Chain 6 UniProt (TrEMBL) Secondary ID(s) of Target Chain 6 UniProt (TrEMBL) Alternative ID(s) of Target Chain 6 BindingDB Target Chain Sequence 7 PDB ID(s) of Target Chain 7 UniProt (SwissProt) Recommended Name of Target Chain 7 UniProt (SwissProt) Entry Name of Target Chain 7 UniProt (SwissProt) Primary ID of Target Chain 7 UniProt (SwissProt) Secondary ID(s) of Target Chain 7 UniProt (SwissProt) Alternative ID(s) of Target Chain 7 UniProt (TrEMBL) Submitted Name of Target Chain 7 UniProt (TrEMBL) Entry Name of Target Chain 7 UniProt (TrEMBL) Primary ID of Target Chain 7 UniProt (TrEMBL) Secondary ID(s) of Target Chain 7 UniProt (TrEMBL) Alternative ID(s) of Target Chain 7 BindingDB Target Chain Sequence 8 PDB ID(s) of Target Chain 8 UniProt (SwissProt) Recommended Name of Target Chain 8 UniProt (SwissProt) Entry Name of Target Chain 8 UniProt (SwissProt) Primary ID of Target Chain 8 UniProt (SwissProt) Secondary ID(s) of Target Chain 8 UniProt (SwissProt) Alternative ID(s) of Target Chain 8 UniProt (TrEMBL) Submitted Name of Target Chain 8 UniProt (TrEMBL) Entry Name of Target Chain 8 UniProt (TrEMBL) Primary ID of Target Chain 8 UniProt (TrEMBL) Secondary ID(s) of Target Chain 8 UniProt (TrEMBL) Alternative ID(s) of Target Chain 8 BindingDB Target Chain Sequence 9 PDB ID(s) of Target Chain 9 UniProt (SwissProt) Recommended Name of Target Chain 9 UniProt (SwissProt) Entry Name of Target Chain 9 UniProt (SwissProt) Primary ID of Target Chain 9 UniProt (SwissProt) Secondary ID(s) of Target Chain 9 UniProt (SwissProt) Alternative ID(s) of Target Chain 9 UniProt (TrEMBL) Submitted Name of Target Chain 9 UniProt (TrEMBL) Entry Name of Target Chain 9 UniProt (TrEMBL) Primary ID of Target Chain 9 UniProt (TrEMBL) Secondary ID(s) of Target Chain 9 UniProt (TrEMBL) Alternative ID(s) of Target Chain 9 BindingDB Target Chain Sequence 10 PDB ID(s) of Target Chain 10 UniProt (SwissProt) Recommended Name of Target Chain 10 UniProt (SwissProt) Entry Name of Target Chain 10 UniProt (SwissProt) Primary ID of Target Chain 10 UniProt (SwissProt) Secondary ID(s) of Target Chain 10 UniProt (SwissProt) Alternative ID(s) of Target Chain 10 UniProt (TrEMBL) Submitted Name of Target Chain 10 UniProt (TrEMBL) Entry Name of Target Chain 10 UniProt (TrEMBL) Primary ID of Target Chain 10 UniProt (TrEMBL) Secondary ID(s) of Target Chain 10 UniProt (TrEMBL) Alternative ID(s) of Target Chain 10 BindingDB Target Chain Sequence 11 PDB ID(s) of Target Chain 11 UniProt (SwissProt) Recommended Name of Target Chain 11 UniProt (SwissProt) Entry Name of Target Chain 11 UniProt (SwissProt) Primary ID of Target Chain 11 UniProt (SwissProt) Secondary ID(s) of Target Chain 11 UniProt (SwissProt) Alternative ID(s) of Target Chain 11 UniProt (TrEMBL) Submitted Name of Target Chain 11 UniProt (TrEMBL) Entry Name of Target Chain 11 UniProt (TrEMBL) Primary ID of Target Chain 11 UniProt (TrEMBL) Secondary ID(s) of Target Chain 11 UniProt (TrEMBL) Alternative ID(s) of Target Chain 11 BindingDB Target Chain Sequence 12 PDB ID(s) of Target Chain 12 UniProt (SwissProt) Recommended Name of Target Chain 12 UniProt (SwissProt) Entry Name of Target Chain 12 UniProt (SwissProt) Primary ID of Target Chain 12 UniProt (SwissProt) Secondary ID(s) of Target Chain 12 UniProt (SwissProt) Alternative ID(s) of Target Chain 12 UniProt (TrEMBL) Submitted Name of Target Chain 12 UniProt (TrEMBL) Entry Name of Target Chain 12 UniProt (TrEMBL) Primary ID of Target Chain 12 UniProt (TrEMBL) Secondary ID(s) of Target Chain 12 UniProt (TrEMBL) Alternative ID(s) of Target Chain 12 BindingDB Target Chain Sequence 13 PDB ID(s) of Target Chain 13 UniProt (SwissProt) Recommended Name of Target Chain 13 UniProt (SwissProt) Entry Name of Target Chain 13 UniProt (SwissProt) Primary ID of Target Chain 13 UniProt (SwissProt) Secondary ID(s) of Target Chain 13 UniProt (SwissProt) Alternative ID(s) of Target Chain 13 UniProt (TrEMBL) Submitted Name of Target Chain 13 UniProt (TrEMBL) Entry Name of Target Chain 13 UniProt (TrEMBL) Primary ID of Target Chain 13 UniProt (TrEMBL) Secondary ID(s) of Target Chain 13 UniProt (TrEMBL) Alternative ID(s) of Target Chain 13 BindingDB Target Chain Sequence 14 PDB ID(s) of Target Chain 14 UniProt (SwissProt) Recommended Name of Target Chain 14 UniProt (SwissProt) Entry Name of Target Chain 14 UniProt (SwissProt) Primary ID of Target Chain 14 UniProt (SwissProt) Secondary ID(s) of Target Chain 14 UniProt (SwissProt) Alternative ID(s) of Target Chain 14 UniProt (TrEMBL) Submitted Name of Target Chain 14 UniProt (TrEMBL) Entry Name of Target Chain 14 UniProt (TrEMBL) Primary ID of Target Chain 14 UniProt (TrEMBL) Secondary ID(s) of Target Chain 14 UniProt (TrEMBL) Alternative ID(s) of Target Chain 14 BindingDB Target Chain Sequence 15 PDB ID(s) of Target Chain 15 UniProt (SwissProt) Recommended Name of Target Chain 15 UniProt (SwissProt) Entry Name of Target Chain 15 UniProt (SwissProt) Primary ID of Target Chain 15 UniProt (SwissProt) Secondary ID(s) of Target Chain 15 UniProt (SwissProt) Alternative ID(s) of Target Chain 15 UniProt (TrEMBL) Submitted Name of Target Chain 15 UniProt (TrEMBL) Entry Name of Target Chain 15 UniProt (TrEMBL) Primary ID of Target Chain 15 UniProt (TrEMBL) Secondary ID(s) of Target Chain 15 UniProt (TrEMBL) Alternative ID(s) of Target Chain 15 BindingDB Target Chain Sequence 16 PDB ID(s) of Target Chain 16 UniProt (SwissProt) Recommended Name of Target Chain 16 UniProt (SwissProt) Entry Name of Target Chain 16 UniProt (SwissProt) Primary ID of Target Chain 16 UniProt (SwissProt) Secondary ID(s) of Target Chain 16 UniProt (SwissProt) Alternative ID(s) of Target Chain 16 UniProt (TrEMBL) Submitted Name of Target Chain 16 UniProt (TrEMBL) Entry Name of Target Chain 16 UniProt (TrEMBL) Primary ID of Target Chain 16 UniProt (TrEMBL) Secondary ID(s) of Target Chain 16 UniProt (TrEMBL) Alternative ID(s) of Target Chain 16 BindingDB Target Chain Sequence 17 PDB ID(s) of Target Chain 17 UniProt (SwissProt) Recommended Name of Target Chain 17 UniProt (SwissProt) Entry Name of Target Chain 17 UniProt (SwissProt) Primary ID of Target Chain 17 UniProt (SwissProt) Secondary ID(s) of Target Chain 17 UniProt (SwissProt) Alternative ID(s) of Target Chain 17 UniProt (TrEMBL) Submitted Name of Target Chain 17 UniProt (TrEMBL) Entry Name of Target Chain 17 UniProt (TrEMBL) Primary ID of Target Chain 17 UniProt (TrEMBL) Secondary ID(s) of Target Chain 17 UniProt (TrEMBL) Alternative ID(s) of Target Chain 17 BindingDB Target Chain Sequence 18 PDB ID(s) of Target Chain 18 UniProt (SwissProt) Recommended Name of Target Chain 18 UniProt (SwissProt) Entry Name of Target Chain 18 UniProt (SwissProt) Primary ID of Target Chain 18 UniProt (SwissProt) Secondary ID(s) of Target Chain 18 UniProt (SwissProt) Alternative ID(s) of Target Chain 18 UniProt (TrEMBL) Submitted Name of Target Chain 18 UniProt (TrEMBL) Entry Name of Target Chain 18 UniProt (TrEMBL) Primary ID of Target Chain 18 UniProt (TrEMBL) Secondary ID(s) of Target Chain 18 UniProt (TrEMBL) Alternative ID(s) of Target Chain 18 BindingDB Target Chain Sequence 19 PDB ID(s) of Target Chain 19 UniProt (SwissProt) Recommended Name of Target Chain 19 UniProt (SwissProt) Entry Name of Target Chain 19 UniProt (SwissProt) Primary ID of Target Chain 19 UniProt (SwissProt) Secondary ID(s) of Target Chain 19 UniProt (SwissProt) Alternative ID(s) of Target Chain 19 UniProt (TrEMBL) Submitted Name of Target Chain 19 UniProt (TrEMBL) Entry Name of Target Chain 19 UniProt (TrEMBL) Primary ID of Target Chain 19 UniProt (TrEMBL) Secondary ID(s) of Target Chain 19 UniProt (TrEMBL) Alternative ID(s) of Target Chain 19 BindingDB Target Chain Sequence 20 PDB ID(s) of Target Chain 20 UniProt (SwissProt) Recommended Name of Target Chain 20 UniProt (SwissProt) Entry Name of Target Chain 20 UniProt (SwissProt) Primary ID of Target Chain 20 UniProt (SwissProt) Secondary ID(s) of Target Chain 20 UniProt (SwissProt) Alternative ID(s) of Target Chain 20 UniProt (TrEMBL) Submitted Name of Target Chain 20 UniProt (TrEMBL) Entry Name of Target Chain 20 UniProt (TrEMBL) Primary ID of Target Chain 20 UniProt (TrEMBL) Secondary ID(s) of Target Chain 20 UniProt (TrEMBL) Alternative ID(s) of Target Chain 20 BindingDB Target Chain Sequence 21 PDB ID(s) of Target Chain 21 UniProt (SwissProt) Recommended Name of Target Chain 21 UniProt (SwissProt) Entry Name of Target Chain 21 UniProt (SwissProt) Primary ID of Target Chain 21 UniProt (SwissProt) Secondary ID(s) of Target Chain 21 UniProt (SwissProt) Alternative ID(s) of Target Chain 21 UniProt (TrEMBL) Submitted Name of Target Chain 21 UniProt (TrEMBL) Entry Name of Target Chain 21 UniProt (TrEMBL) Primary ID of Target Chain 21 UniProt (TrEMBL) Secondary ID(s) of Target Chain 21 UniProt (TrEMBL) Alternative ID(s) of Target Chain 21 BindingDB Target Chain Sequence 22 PDB ID(s) of Target Chain 22 UniProt (SwissProt) Recommended Name of Target Chain 22 UniProt (SwissProt) Entry Name of Target Chain 22 UniProt (SwissProt) Primary ID of Target Chain 22 UniProt (SwissProt) Secondary ID(s) of Target Chain 22 UniProt (SwissProt) Alternative ID(s) of Target Chain 22 UniProt (TrEMBL) Submitted Name of Target Chain 22 UniProt (TrEMBL) Entry Name of Target Chain 22 UniProt (TrEMBL) Primary ID of Target Chain 22 UniProt (TrEMBL) Secondary ID(s) of Target Chain 22 UniProt (TrEMBL) Alternative ID(s) of Target Chain 22 BindingDB Target Chain Sequence 23 PDB ID(s) of Target Chain 23 UniProt (SwissProt) Recommended Name of Target Chain 23 UniProt (SwissProt) Entry Name of Target Chain 23 UniProt (SwissProt) Primary ID of Target Chain 23 UniProt (SwissProt) Secondary ID(s) of Target Chain 23 UniProt (SwissProt) Alternative ID(s) of Target Chain 23 UniProt (TrEMBL) Submitted Name of Target Chain 23 UniProt (TrEMBL) Entry Name of Target Chain 23 UniProt (TrEMBL) Primary ID of Target Chain 23 UniProt (TrEMBL) Secondary ID(s) of Target Chain 23 UniProt (TrEMBL) Alternative ID(s) of Target Chain 23 BindingDB Target Chain Sequence 24 PDB ID(s) of Target Chain 24 UniProt (SwissProt) Recommended Name of Target Chain 24 UniProt (SwissProt) Entry Name of Target Chain 24 UniProt (SwissProt) Primary ID of Target Chain 24 UniProt (SwissProt) Secondary ID(s) of Target Chain 24 UniProt (SwissProt) Alternative ID(s) of Target Chain 24 UniProt (TrEMBL) Submitted Name of Target Chain 24 UniProt (TrEMBL) Entry Name of Target Chain 24 UniProt (TrEMBL) Primary ID of Target Chain 24 UniProt (TrEMBL) Secondary ID(s) of Target Chain 24 UniProt (TrEMBL) Alternative ID(s) of Target Chain 24 BindingDB Target Chain Sequence 25 PDB ID(s) of Target Chain 25 UniProt (SwissProt) Recommended Name of Target Chain 25 UniProt (SwissProt) Entry Name of Target Chain 25 UniProt (SwissProt) Primary ID of Target Chain 25 UniProt (SwissProt) Secondary ID(s) of Target Chain 25 UniProt (SwissProt) Alternative ID(s) of Target Chain 25 UniProt (TrEMBL) Submitted Name of Target Chain 25 UniProt (TrEMBL) Entry Name of Target Chain 25 UniProt (TrEMBL) Primary ID of Target Chain 25 UniProt (TrEMBL) Secondary ID(s) of Target Chain 25 UniProt (TrEMBL) Alternative ID(s) of Target Chain 25 BindingDB Target Chain Sequence 26 PDB ID(s) of Target Chain 26 UniProt (SwissProt) Recommended Name of Target Chain 26 UniProt (SwissProt) Entry Name of Target Chain 26 UniProt (SwissProt) Primary ID of Target Chain 26 UniProt (SwissProt) Secondary ID(s) of Target Chain 26 UniProt (SwissProt) Alternative ID(s) of Target Chain 26 UniProt (TrEMBL) Submitted Name of Target Chain 26 UniProt (TrEMBL) Entry Name of Target Chain 26 UniProt (TrEMBL) Primary ID of Target Chain 26 UniProt (TrEMBL) Secondary ID(s) of Target Chain 26 UniProt (TrEMBL) Alternative ID(s) of Target Chain 26 BindingDB Target Chain Sequence 27 PDB ID(s) of Target Chain 27 UniProt (SwissProt) Recommended Name of Target Chain 27 UniProt (SwissProt) Entry Name of Target Chain 27 UniProt (SwissProt) Primary ID of Target Chain 27 UniProt (SwissProt) Secondary ID(s) of Target Chain 27 UniProt (SwissProt) Alternative ID(s) of Target Chain 27 UniProt (TrEMBL) Submitted Name of Target Chain 27 UniProt (TrEMBL) Entry Name of Target Chain 27 UniProt (TrEMBL) Primary ID of Target Chain 27 UniProt (TrEMBL) Secondary ID(s) of Target Chain 27 UniProt (TrEMBL) Alternative ID(s) of Target Chain 27 BindingDB Target Chain Sequence 28 PDB ID(s) of Target Chain 28 UniProt (SwissProt) Recommended Name of Target Chain 28 UniProt (SwissProt) Entry Name of Target Chain 28 UniProt (SwissProt) Primary ID of Target Chain 28 UniProt (SwissProt) Secondary ID(s) of Target Chain 28 UniProt (SwissProt) Alternative ID(s) of Target Chain 28 UniProt (TrEMBL) Submitted Name of Target Chain 28 UniProt (TrEMBL) Entry Name of Target Chain 28 UniProt (TrEMBL) Primary ID of Target Chain 28 UniProt (TrEMBL) Secondary ID(s) of Target Chain 28 UniProt (TrEMBL) Alternative ID(s) of Target Chain 28 BindingDB Target Chain Sequence 29 PDB ID(s) of Target Chain 29 UniProt (SwissProt) Recommended Name of Target Chain 29 UniProt (SwissProt) Entry Name of Target Chain 29 UniProt (SwissProt) Primary ID of Target Chain 29 UniProt (SwissProt) Secondary ID(s) of Target Chain 29 UniProt (SwissProt) Alternative ID(s) of Target Chain 29 UniProt (TrEMBL) Submitted Name of Target Chain 29 UniProt (TrEMBL) Entry Name of Target Chain 29 UniProt (TrEMBL) Primary ID of Target Chain 29 UniProt (TrEMBL) Secondary ID(s) of Target Chain 29 UniProt (TrEMBL) Alternative ID(s) of Target Chain 29 BindingDB Target Chain Sequence 30 PDB ID(s) of Target Chain 30 UniProt (SwissProt) Recommended Name of Target Chain 30 UniProt (SwissProt) Entry Name of Target Chain 30 UniProt (SwissProt) Primary ID of Target Chain 30 UniProt (SwissProt) Secondary ID(s) of Target Chain 30 UniProt (SwissProt) Alternative ID(s) of Target Chain 30 UniProt (TrEMBL) Submitted Name of Target Chain 30 UniProt (TrEMBL) Entry Name of Target Chain 30 UniProt (TrEMBL) Primary ID of Target Chain 30 UniProt (TrEMBL) Secondary ID(s) of Target Chain 30 UniProt (TrEMBL) Alternative ID(s) of Target Chain 30 BindingDB Target Chain Sequence 31 PDB ID(s) of Target Chain 31 UniProt (SwissProt) Recommended Name of Target Chain 31 UniProt (SwissProt) Entry Name of Target Chain 31 UniProt (SwissProt) Primary ID of Target Chain 31 UniProt (SwissProt) Secondary ID(s) of Target Chain 31 UniProt (SwissProt) Alternative ID(s) of Target Chain 31 UniProt (TrEMBL) Submitted Name of Target Chain 31 UniProt (TrEMBL) Entry Name of Target Chain 31 UniProt (TrEMBL) Primary ID of Target Chain 31 UniProt (TrEMBL) Secondary ID(s) of Target Chain 31 UniProt (TrEMBL) Alternative ID(s) of Target Chain 31 BindingDB Target Chain Sequence 32 PDB ID(s) of Target Chain 32 UniProt (SwissProt) Recommended Name of Target Chain 32 UniProt (SwissProt) Entry Name of Target Chain 32 UniProt (SwissProt) Primary ID of Target Chain 32 UniProt (SwissProt) Secondary ID(s) of Target Chain 32 UniProt (SwissProt) Alternative ID(s) of Target Chain 32 UniProt (TrEMBL) Submitted Name of Target Chain 32 UniProt (TrEMBL) Entry Name of Target Chain 32 UniProt (TrEMBL) Primary ID of Target Chain 32 UniProt (TrEMBL) Secondary ID(s) of Target Chain 32 UniProt (TrEMBL) Alternative ID(s) of Target Chain 32 BindingDB Target Chain Sequence 33 PDB ID(s) of Target Chain 33 UniProt (SwissProt) Recommended Name of Target Chain 33 UniProt (SwissProt) Entry Name of Target Chain 33 UniProt (SwissProt) Primary ID of Target Chain 33 UniProt (SwissProt) Secondary ID(s) of Target Chain 33 UniProt (SwissProt) Alternative ID(s) of Target Chain 33 UniProt (TrEMBL) Submitted Name of Target Chain 33 UniProt (TrEMBL) Entry Name of Target Chain 33 UniProt (TrEMBL) Primary ID of Target Chain 33 UniProt (TrEMBL) Secondary ID(s) of Target Chain 33 UniProt (TrEMBL) Alternative ID(s) of Target Chain 33 BindingDB Target Chain Sequence 34 PDB ID(s) of Target Chain 34 UniProt (SwissProt) Recommended Name of Target Chain 34 UniProt (SwissProt) Entry Name of Target Chain 34 UniProt (SwissProt) Primary ID of Target Chain 34 UniProt (SwissProt) Secondary ID(s) of Target Chain 34 UniProt (SwissProt) Alternative ID(s) of Target Chain 34 UniProt (TrEMBL) Submitted Name of Target Chain 34 UniProt (TrEMBL) Entry Name of Target Chain 34 UniProt (TrEMBL) Primary ID of Target Chain 34 UniProt (TrEMBL) Secondary ID(s) of Target Chain 34 UniProt (TrEMBL) Alternative ID(s) of Target Chain 34 BindingDB Target Chain Sequence 35 PDB ID(s) of Target Chain 35 UniProt (SwissProt) Recommended Name of Target Chain 35 UniProt (SwissProt) Entry Name of Target Chain 35 UniProt (SwissProt) Primary ID of Target Chain 35 UniProt (SwissProt) Secondary ID(s) of Target Chain 35 UniProt (SwissProt) Alternative ID(s) of Target Chain 35 UniProt (TrEMBL) Submitted Name of Target Chain 35 UniProt (TrEMBL) Entry Name of Target Chain 35 UniProt (TrEMBL) Primary ID of Target Chain 35 UniProt (TrEMBL) Secondary ID(s) of Target Chain 35 UniProt (TrEMBL) Alternative ID(s) of Target Chain 35 BindingDB Target Chain Sequence 36 PDB ID(s) of Target Chain 36 UniProt (SwissProt) Recommended Name of Target Chain 36 UniProt (SwissProt) Entry Name of Target Chain 36 UniProt (SwissProt) Primary ID of Target Chain 36 UniProt (SwissProt) Secondary ID(s) of Target Chain 36 UniProt (SwissProt) Alternative ID(s) of Target Chain 36 UniProt (TrEMBL) Submitted Name of Target Chain 36 UniProt (TrEMBL) Entry Name of Target Chain 36 UniProt (TrEMBL) Primary ID of Target Chain 36 UniProt (TrEMBL) Secondary ID(s) of Target Chain 36 UniProt (TrEMBL) Alternative ID(s) of Target Chain 36 BindingDB Target Chain Sequence 37 PDB ID(s) of Target Chain 37 UniProt (SwissProt) Recommended Name of Target Chain 37 UniProt (SwissProt) Entry Name of Target Chain 37 UniProt (SwissProt) Primary ID of Target Chain 37 UniProt (SwissProt) Secondary ID(s) of Target Chain 37 UniProt (SwissProt) Alternative ID(s) of Target Chain 37 UniProt (TrEMBL) Submitted Name of Target Chain 37 UniProt (TrEMBL) Entry Name of Target Chain 37 UniProt (TrEMBL) Primary ID of Target Chain 37 UniProt (TrEMBL) Secondary ID(s) of Target Chain 37 UniProt (TrEMBL) Alternative ID(s) of Target Chain 37 BindingDB Target Chain Sequence 38 PDB ID(s) of Target Chain 38 UniProt (SwissProt) Recommended Name of Target Chain 38 UniProt (SwissProt) Entry Name of Target Chain 38 UniProt (SwissProt) Primary ID of Target Chain 38 UniProt (SwissProt) Secondary ID(s) of Target Chain 38 UniProt (SwissProt) Alternative ID(s) of Target Chain 38 UniProt (TrEMBL) Submitted Name of Target Chain 38 UniProt (TrEMBL) Entry Name of Target Chain 38 UniProt (TrEMBL) Primary ID of Target Chain 38 UniProt (TrEMBL) Secondary ID(s) of Target Chain 38 UniProt (TrEMBL) Alternative ID(s) of Target Chain 38 BindingDB Target Chain Sequence 39 PDB ID(s) of Target Chain 39 UniProt (SwissProt) Recommended Name of Target Chain 39 UniProt (SwissProt) Entry Name of Target Chain 39 UniProt (SwissProt) Primary ID of Target Chain 39 UniProt (SwissProt) Secondary ID(s) of Target Chain 39 UniProt (SwissProt) Alternative ID(s) of Target Chain 39 UniProt (TrEMBL) Submitted Name of Target Chain 39 UniProt (TrEMBL) Entry Name of Target Chain 39 UniProt (TrEMBL) Primary ID of Target Chain 39 UniProt (TrEMBL) Secondary ID(s) of Target Chain 39 UniProt (TrEMBL) Alternative ID(s) of Target Chain 39 BindingDB Target Chain Sequence 40 PDB ID(s) of Target Chain 40 UniProt (SwissProt) Recommended Name of Target Chain 40 UniProt (SwissProt) Entry Name of Target Chain 40 UniProt (SwissProt) Primary ID of Target Chain 40 UniProt (SwissProt) Secondary ID(s) of Target Chain 40 UniProt (SwissProt) Alternative ID(s) of Target Chain 40 UniProt (TrEMBL) Submitted Name of Target Chain 40 UniProt (TrEMBL) Entry Name of Target Chain 40 UniProt (TrEMBL) Primary ID of Target Chain 40 UniProt (TrEMBL) Secondary ID(s) of Target Chain 40 UniProt (TrEMBL) Alternative ID(s) of Target Chain 40 BindingDB Target Chain Sequence 41 PDB ID(s) of Target Chain 41 UniProt (SwissProt) Recommended Name of Target Chain 41 UniProt (SwissProt) Entry Name of Target Chain 41 UniProt (SwissProt) Primary ID of Target Chain 41 UniProt (SwissProt) Secondary ID(s) of Target Chain 41 UniProt (SwissProt) Alternative ID(s) of Target Chain 41 UniProt (TrEMBL) Submitted Name of Target Chain 41 UniProt (TrEMBL) Entry Name of Target Chain 41 UniProt (TrEMBL) Primary ID of Target Chain 41 UniProt (TrEMBL) Secondary ID(s) of Target Chain 41 UniProt (TrEMBL) Alternative ID(s) of Target Chain 41 BindingDB Target Chain Sequence 42 PDB ID(s) of Target Chain 42 UniProt (SwissProt) Recommended Name of Target Chain 42 UniProt (SwissProt) Entry Name of Target Chain 42 UniProt (SwissProt) Primary ID of Target Chain 42 UniProt (SwissProt) Secondary ID(s) of Target Chain 42 UniProt (SwissProt) Alternative ID(s) of Target Chain 42 UniProt (TrEMBL) Submitted Name of Target Chain 42 UniProt (TrEMBL) Entry Name of Target Chain 42 UniProt (TrEMBL) Primary ID of Target Chain 42 UniProt (TrEMBL) Secondary ID(s) of Target Chain 42 UniProt (TrEMBL) Alternative ID(s) of Target Chain 42 BindingDB Target Chain Sequence 43 PDB ID(s) of Target Chain 43 UniProt (SwissProt) Recommended Name of Target Chain 43 UniProt (SwissProt) Entry Name of Target Chain 43 UniProt (SwissProt) Primary ID of Target Chain 43 UniProt (SwissProt) Secondary ID(s) of Target Chain 43 UniProt (SwissProt) Alternative ID(s) of Target Chain 43 UniProt (TrEMBL) Submitted Name of Target Chain 43 UniProt (TrEMBL) Entry Name of Target Chain 43 UniProt (TrEMBL) Primary ID of Target Chain 43 UniProt (TrEMBL) Secondary ID(s) of Target Chain 43 UniProt (TrEMBL) Alternative ID(s) of Target Chain 43 BindingDB Target Chain Sequence 44 PDB ID(s) of Target Chain 44 UniProt (SwissProt) Recommended Name of Target Chain 44 UniProt (SwissProt) Entry Name of Target Chain 44 UniProt (SwissProt) Primary ID of Target Chain 44 UniProt (SwissProt) Secondary ID(s) of Target Chain 44 UniProt (SwissProt) Alternative ID(s) of Target Chain 44 UniProt (TrEMBL) Submitted Name of Target Chain 44 UniProt (TrEMBL) Entry Name of Target Chain 44 UniProt (TrEMBL) Primary ID of Target Chain 44 UniProt (TrEMBL) Secondary ID(s) of Target Chain 44 UniProt (TrEMBL) Alternative ID(s) of Target Chain 44 BindingDB Target Chain Sequence 45 PDB ID(s) of Target Chain 45 UniProt (SwissProt) Recommended Name of Target Chain 45 UniProt (SwissProt) Entry Name of Target Chain 45 UniProt (SwissProt) Primary ID of Target Chain 45 UniProt (SwissProt) Secondary ID(s) of Target Chain 45 UniProt (SwissProt) Alternative ID(s) of Target Chain 45 UniProt (TrEMBL) Submitted Name of Target Chain 45 UniProt (TrEMBL) Entry Name of Target Chain 45 UniProt (TrEMBL) Primary ID of Target Chain 45 UniProt (TrEMBL) Secondary ID(s) of Target Chain 45 UniProt (TrEMBL) Alternative ID(s) of Target Chain 45 BindingDB Target Chain Sequence 46 PDB ID(s) of Target Chain 46 UniProt (SwissProt) Recommended Name of Target Chain 46 UniProt (SwissProt) Entry Name of Target Chain 46 UniProt (SwissProt) Primary ID of Target Chain 46 UniProt (SwissProt) Secondary ID(s) of Target Chain 46 UniProt (SwissProt) Alternative ID(s) of Target Chain 46 UniProt (TrEMBL) Submitted Name of Target Chain 46 UniProt (TrEMBL) Entry Name of Target Chain 46 UniProt (TrEMBL) Primary ID of Target Chain 46 UniProt (TrEMBL) Secondary ID(s) of Target Chain 46 UniProt (TrEMBL) Alternative ID(s) of Target Chain 46 BindingDB Target Chain Sequence 47 PDB ID(s) of Target Chain 47 UniProt (SwissProt) Recommended Name of Target Chain 47 UniProt (SwissProt) Entry Name of Target Chain 47 UniProt (SwissProt) Primary ID of Target Chain 47 UniProt (SwissProt) Secondary ID(s) of Target Chain 47 UniProt (SwissProt) Alternative ID(s) of Target Chain 47 UniProt (TrEMBL) Submitted Name of Target Chain 47 UniProt (TrEMBL) Entry Name of Target Chain 47 UniProt (TrEMBL) Primary ID of Target Chain 47 UniProt (TrEMBL) Secondary ID(s) of Target Chain 47 UniProt (TrEMBL) Alternative ID(s) of Target Chain 47 BindingDB Target Chain Sequence 48 PDB ID(s) of Target Chain 48 UniProt (SwissProt) Recommended Name of Target Chain 48 UniProt (SwissProt) Entry Name of Target Chain 48 UniProt (SwissProt) Primary ID of Target Chain 48 UniProt (SwissProt) Secondary ID(s) of Target Chain 48 UniProt (SwissProt) Alternative ID(s) of Target Chain 48 UniProt (TrEMBL) Submitted Name of Target Chain 48 UniProt (TrEMBL) Entry Name of Target Chain 48 UniProt (TrEMBL) Primary ID of Target Chain 48 UniProt (TrEMBL) Secondary ID(s) of Target Chain 48 UniProt (TrEMBL) Alternative ID(s) of Target Chain 48 BindingDB Target Chain Sequence 49 PDB ID(s) of Target Chain 49 UniProt (SwissProt) Recommended Name of Target Chain 49 UniProt (SwissProt) Entry Name of Target Chain 49 UniProt (SwissProt) Primary ID of Target Chain 49 UniProt (SwissProt) Secondary ID(s) of Target Chain 49 UniProt (SwissProt) Alternative ID(s) of Target Chain 49 UniProt (TrEMBL) Submitted Name of Target Chain 49 UniProt (TrEMBL) Entry Name of Target Chain 49 UniProt (TrEMBL) Primary ID of Target Chain 49 UniProt (TrEMBL) Secondary ID(s) of Target Chain 49 UniProt (TrEMBL) Alternative ID(s) of Target Chain 49 BindingDB Target Chain Sequence 50 PDB ID(s) of Target Chain 50 UniProt (SwissProt) Recommended Name of Target Chain 50 UniProt (SwissProt) Entry Name of Target Chain 50 UniProt (SwissProt) Primary ID of Target Chain 50 UniProt (SwissProt) Secondary ID(s) of Target Chain 50 UniProt (SwissProt) Alternative ID(s) of Target Chain 50 UniProt (TrEMBL) Submitted Name of Target Chain 50 UniProt (TrEMBL) Entry Name of Target Chain 50 UniProt (TrEMBL) Primary ID of Target Chain 50 UniProt (TrEMBL) Secondary ID(s) of Target Chain 50 UniProt (TrEMBL) Alternative ID(s) of Target Chain 50 51638983 CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28) FDBYIYFVSAHJLY-UHFFFAOYSA-N 50012905 CHEMBL3261331::USRE46024, 8::US20240059676, Compound MGL-3196 Thyroid hormone receptor beta Homo sapiens 210 ChEMBL 10.7270/Q2348R8N 40045167 Wei, C; Liu, Y; Yan, Z; Han, J; Jiang, N //0 6/5/2026 The Fifth Affiliated Hospital of Guangxi Medical University & The First People's Hospital of Nanning http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50012905 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1952&target=Thyroid+hormone+receptor+beta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50012905&enzyme=Thyroid+hormone+receptor+beta&column=ki&startPg=0&Increment=50&submit=Search 15981237 103925155 CHEMBL3261331 1 MTPNSMTENGLTAWDKPKHCPDREHDWKLVGMSEACLHRKSHSERRSTLKNEQSSPHLIQTTWTSSIFHLDHDDVNDQSVSSAQTFQTEEKKCKGYIPSYLDKDELCVVCGDKATGYHYRCITCEGCKGFFRRTIQKNLHPSYSCKYEGKCVIDKVTRNQCQECRFKKCIYVGMATDLVLDDSKRLAKRKLIEENREKRRREELQKSIGHKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAPIVNAPEGGKVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED 3IMY,3JZC,9J0K,7WMO,7WMN,7WML,7WMJ,7WMH,7WMG,7WLX,1BSX,8RQN,1Y0X,1XZX,9IX5,3GWS,1N46,1Q4X,4ZO1,2J4A,1NAX,2PIN,6KKB,3UVV,3M9E Thyroid hormone receptor beta THB_HUMAN P10828 B3KU79 P37243 Q13986 Q3KP35 Q6WGL2 Q9UD41 51638984 CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12 InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29) ZXERDUOLZKYMJM-UHFFFAOYSA-N 50656292 Obeticholic acid::Acide obeticholique::Acido obeticolico::6-ecdca::6-ethylchenodeoxycholic acid::DSP-1747::INT-747::Ocaliva Bile acid receptor Homo sapiens 99 ChEMBL 10.7270/Q2348R8N 40045167 Wei, C; Liu, Y; Yan, Z; Han, J; Jiang, N //0 6/5/2026 The Fifth Affiliated Hospital of Guangxi Medical University & The First People's Hospital of Nanning http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50656292 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2179&target=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50656292&enzyme=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search 1 MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ 3BEJ,3DCU,3DCT,3RVF,3HC5,5YXL,5YXJ,5YXD,5YXB,5ICK,3RUU,3RUT,6HL1,6HL0,4QE8,1OSH,3L1B,5Z12,5IAW,5WZX,5Y49,7D42,7VUE,9LQ3,4WVD Bile acid receptor NR1H4_HUMAN Q96RI1 A1L4K5 B7Z412 B7ZM06 F8VYG8 Q8NFP5 Q8NFP6 Q92943 51638985 CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C(F)(F)F)c(Cl)c1 InChI=1S/C16H14ClF3N2O3S/c1-26(24,25)22-13-7-4-11(14(17)8-13)9-21-15(23)10-2-5-12(6-3-10)16(18,19)20/h2-8,22H,9H2,1H3,(H,21,23) IMSUVNSPAVWNEF-UHFFFAOYSA-N 50581268 CHEMBL5093975 Bile acid receptor Homo sapiens 20 ChEMBL 10.7270/Q2348R8N 40045167 Wei, C; Liu, Y; Yan, Z; Han, J; Jiang, N //0 6/5/2026 The Fifth Affiliated Hospital of Guangxi Medical University & The First People's Hospital of Nanning http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50581268 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2179&target=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50581268&enzyme=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search 166633809 476026273 1 MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ 3BEJ,3DCU,3DCT,3RVF,3HC5,5YXL,5YXJ,5YXD,5YXB,5ICK,3RUU,3RUT,6HL1,6HL0,4QE8,1OSH,3L1B,5Z12,5IAW,5WZX,5Y49,7D42,7VUE,9LQ3,4WVD Bile acid receptor NR1H4_HUMAN Q96RI1 A1L4K5 B7Z412 B7ZM06 F8VYG8 Q8NFP5 Q8NFP6 Q92943 51638986 CC(C)c1onc(c1COc1ccc(CNc2ccc(CC(O)=O)cc2)c(Cl)c1)-c1c(Cl)cccc1Cl |(33.07,-43.6,;31.6,-43.12,;31.28,-41.61,;30.46,-44.15,;28.94,-43.83,;28.18,-45.17,;29.21,-46.32,;30.61,-45.68,;31.95,-46.45,;33.28,-45.68,;34.62,-46.45,;35.96,-45.67,;37.3,-46.44,;37.29,-48,;38.63,-48.78,;39.96,-48.01,;41.29,-48.78,;41.28,-50.32,;42.61,-51.09,;43.95,-50.32,;45.28,-51.09,;45.28,-52.63,;43.95,-53.4,;46.61,-53.4,;43.95,-48.78,;42.61,-48.01,;35.95,-48.77,;35.95,-50.31,;34.63,-47.99,;28.89,-47.82,;30.04,-48.85,;31.51,-48.36,;29.73,-50.36,;28.26,-50.84,;27.11,-49.8,;27.43,-48.3,;26.28,-47.27,)| InChI=1S/C28H25Cl3N2O4/c1-16(2)28-21(27(33-37-28)26-22(29)4-3-5-23(26)30)15-36-20-11-8-18(24(31)13-20)14-32-19-9-6-17(7-10-19)12-25(34)35/h3-11,13,16,32H,12,14-15H2,1-2H3,(H,34,35) SPZFHDGEKBUECT-UHFFFAOYSA-N 50545816 CHEMBL4633499 Bile acid receptor Homo sapiens 940 ChEMBL 10.7270/Q2348R8N 40045167 Wei, C; Liu, Y; Yan, Z; Han, J; Jiang, N //0 6/5/2026 The Fifth Affiliated Hospital of Guangxi Medical University & The First People's Hospital of Nanning http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545816 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2179&target=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545816&enzyme=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search 154699446 442111627 C03768 1 MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ 3BEJ,3DCU,3DCT,3RVF,3HC5,5YXL,5YXJ,5YXD,5YXB,5ICK,3RUU,3RUT,6HL1,6HL0,4QE8,1OSH,3L1B,5Z12,5IAW,5WZX,5Y49,7D42,7VUE,9LQ3,4WVD Bile acid receptor NR1H4_HUMAN Q96RI1 A1L4K5 B7Z412 B7ZM06 F8VYG8 Q8NFP5 Q8NFP6 Q92943 51638987 O=C(O)c1ccnc(NC(=O)c2ccc(OCCCc3ccccc3)cc2)c1 InChI=1S/C22H20N2O4/c25-21(24-20-15-18(22(26)27)12-13-23-20)17-8-10-19(11-9-17)28-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2,(H,26,27)(H,23,24,25) OFNNBSCWANHPFA-UHFFFAOYSA-N 50659886 CHEMBL6167160 Bile acid receptor Homo sapiens 460 ChEMBL 10.7270/Q2348R8N 40045167 Wei, C; Liu, Y; Yan, Z; Han, J; Jiang, N //0 6/5/2026 The Fifth Affiliated Hospital of Guangxi Medical University & The First People's Hospital of Nanning http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50659886 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2179&target=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50659886&enzyme=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search 1 MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ 3BEJ,3DCU,3DCT,3RVF,3HC5,5YXL,5YXJ,5YXD,5YXB,5ICK,3RUU,3RUT,6HL1,6HL0,4QE8,1OSH,3L1B,5Z12,5IAW,5WZX,5Y49,7D42,7VUE,9LQ3,4WVD Bile acid receptor NR1H4_HUMAN Q96RI1 A1L4K5 B7Z412 B7ZM06 F8VYG8 Q8NFP5 Q8NFP6 Q92943 51638988 CC(C)(C)c1ccc(cc1)-n1cnc2c(NC(=O)Cc3ccc(cc3)C(O)=O)cccc12 InChI=1S/C26H25N3O3/c1-26(2,3)19-11-13-20(14-12-19)29-16-27-24-21(5-4-6-22(24)29)28-23(30)15-17-7-9-18(10-8-17)25(31)32/h4-14,16H,15H2,1-3H3,(H,28,30)(H,31,32) VEHCUCLQBZOABJ-UHFFFAOYSA-N 50614632 CHEMBL5290209 Bile acid receptor Homo sapiens 780 ChEMBL 10.7270/Q2348R8N 40045167 Wei, C; Liu, Y; Yan, Z; Han, J; Jiang, N //0 6/5/2026 The Fifth Affiliated Hospital of Guangxi Medical University & The First People's Hospital of Nanning http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614632 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2179&target=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614632&enzyme=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search 171358562 494504380 1 MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ 3BEJ,3DCU,3DCT,3RVF,3HC5,5YXL,5YXJ,5YXD,5YXB,5ICK,3RUU,3RUT,6HL1,6HL0,4QE8,1OSH,3L1B,5Z12,5IAW,5WZX,5Y49,7D42,7VUE,9LQ3,4WVD Bile acid receptor NR1H4_HUMAN Q96RI1 A1L4K5 B7Z412 B7ZM06 F8VYG8 Q8NFP5 Q8NFP6 Q92943 51638989 Cc1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2cccc(C(=O)O)c2)cc1 InChI=1S/C24H17Cl2NO4/c1-14-19(23(27-31-14)22-20(25)6-3-7-21(22)26)13-30-18-10-8-15(9-11-18)16-4-2-5-17(12-16)24(28)29/h2-12H,13H2,1H3,(H,28,29) FVJFATSNWFWEGK-UHFFFAOYSA-N 50393031 CHEMBL6096604 Bile acid receptor Homo sapiens 3200 ChEMBL 10.7270/Q2348R8N 40045167 Wei, C; Liu, Y; Yan, Z; Han, J; Jiang, N //0 6/5/2026 The Fifth Affiliated Hospital of Guangxi Medical University & The First People's Hospital of Nanning http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50393031 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2179&target=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50393031&enzyme=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search 56961984 163342055 CHEMBL2152696 1 MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ 3BEJ,3DCU,3DCT,3RVF,3HC5,5YXL,5YXJ,5YXD,5YXB,5ICK,3RUU,3RUT,6HL1,6HL0,4QE8,1OSH,3L1B,5Z12,5IAW,5WZX,5Y49,7D42,7VUE,9LQ3,4WVD Bile acid receptor NR1H4_HUMAN Q96RI1 A1L4K5 B7Z412 B7ZM06 F8VYG8 Q8NFP5 Q8NFP6 Q92943 51638990 O=C(O)c1cccc2nc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3)cn12 InChI=1S/C27H19Cl2N3O4/c28-19-3-1-4-20(29)24(19)25-18(26(36-31-25)16-7-8-16)14-35-17-11-9-15(10-12-17)21-13-32-22(27(33)34)5-2-6-23(32)30-21/h1-6,9-13,16H,7-8,14H2,(H,33,34) RMIWMNGBIVAOCH-UHFFFAOYSA-N 50659887 CHEMBL6144920 Bile acid receptor Homo sapiens 121 ChEMBL 10.7270/Q2348R8N 40045167 Wei, C; Liu, Y; Yan, Z; Han, J; Jiang, N //0 6/5/2026 The Fifth Affiliated Hospital of Guangxi Medical University & The First People's Hospital of Nanning http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50659887 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2179&target=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50659887&enzyme=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search 1 MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ 3BEJ,3DCU,3DCT,3RVF,3HC5,5YXL,5YXJ,5YXD,5YXB,5ICK,3RUU,3RUT,6HL1,6HL0,4QE8,1OSH,3L1B,5Z12,5IAW,5WZX,5Y49,7D42,7VUE,9LQ3,4WVD Bile acid receptor NR1H4_HUMAN Q96RI1 A1L4K5 B7Z412 B7ZM06 F8VYG8 Q8NFP5 Q8NFP6 Q92943 51638991 O=C(O)c1ccc(-c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2)cc1 InChI=1S/C26H19Cl2NO4/c27-21-2-1-3-22(28)23(21)24-20(25(33-29-24)17-6-7-17)14-32-19-12-10-16(11-13-19)15-4-8-18(9-5-15)26(30)31/h1-5,8-13,17H,6-7,14H2,(H,30,31) MUUKZGHKNDQVRC-UHFFFAOYSA-N 50659888 CHEMBL6151098 Bile acid receptor Homo sapiens 52 ChEMBL 10.7270/Q2348R8N 40045167 Wei, C; Liu, Y; Yan, Z; Han, J; Jiang, N //0 6/5/2026 The Fifth Affiliated Hospital of Guangxi Medical University & The First People's Hospital of Nanning http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50659888 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2179&target=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50659888&enzyme=Bile+acid+receptor&column=ki&startPg=0&Increment=50&submit=Search 1 MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ 3BEJ,3DCU,3DCT,3RVF,3HC5,5YXL,5YXJ,5YXD,5YXB,5ICK,3RUU,3RUT,6HL1,6HL0,4QE8,1OSH,3L1B,5Z12,5IAW,5WZX,5Y49,7D42,7VUE,9LQ3,4WVD Bile acid receptor NR1H4_HUMAN Q96RI1 A1L4K5 B7Z412 B7ZM06 F8VYG8 Q8NFP5 Q8NFP6 Q92943 51638992 CC(C)c1onc(c1COc1ccc(CNc2ccc(CC(O)=O)cc2)c(Cl)c1)-c1c(Cl)cccc1Cl |(33.07,-43.6,;31.6,-43.12,;31.28,-41.61,;30.46,-44.15,;28.94,-43.83,;28.18,-45.17,;29.21,-46.32,;30.61,-45.68,;31.95,-46.45,;33.28,-45.68,;34.62,-46.45,;35.96,-45.67,;37.3,-46.44,;37.29,-48,;38.63,-48.78,;39.96,-48.01,;41.29,-48.78,;41.28,-50.32,;42.61,-51.09,;43.95,-50.32,;45.28,-51.09,;45.28,-52.63,;43.95,-53.4,;46.61,-53.4,;43.95,-48.78,;42.61,-48.01,;35.95,-48.77,;35.95,-50.31,;34.63,-47.99,;28.89,-47.82,;30.04,-48.85,;31.51,-48.36,;29.73,-50.36,;28.26,-50.84,;27.11,-49.8,;27.43,-48.3,;26.28,-47.27,)| InChI=1S/C28H25Cl3N2O4/c1-16(2)28-21(27(33-37-28)26-22(29)4-3-5-23(26)30)15-36-20-11-8-18(24(31)13-20)14-32-19-9-6-17(7-10-19)12-25(34)35/h3-11,13,16,32H,12,14-15H2,1-2H3,(H,34,35) SPZFHDGEKBUECT-UHFFFAOYSA-N 50545816 CHEMBL4633499 Peroxisome proliferator-activated receptor delta Homo sapiens 1500 ChEMBL 10.7270/Q2348R8N 40045167 Wei, C; Liu, Y; Yan, Z; Han, J; Jiang, N //0 6/5/2026 The Fifth Affiliated Hospital of Guangxi Medical University & The First People's Hospital of Nanning http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50545816 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9949&target=Peroxisome+proliferator-activated+receptor+delta&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50545816&enzyme=Peroxisome+proliferator-activated+receptor+delta&column=ki&startPg=0&Increment=50&submit=Search 154699446 442111627 C03768 1 MEQPQEEAPEVREEEEKEEVAEAEGAPELNGGPQHALPSSSYTDLSRSSSPPSLLDQLQMGCDGASCGSLNMECRVCGDKASGFHYGVHACEGCKGFFRRTIRMKLEYEKCERSCKIQKKNRNKCQYCRFQKCLALGMSHNAIRFGRMPEAEKRKLVAGLTANEGSQYNPQVADLKAFSKHIYNAYLKNFNMTKKKARSILTGKASHTAPFVIHDIETLWQAEKGLVWKQLVNGLPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKDMY 2XYX,2XYW,2XYJ,8HUO,8HUL,7WGN,7WGL,7VWH,7VWG,7VWF,7VWE,2ZNQ,2ZNP,5U46,5U45,5U44,5U43,5U42,5U41,5U40,5U3Z,5U3Y,5U3X,5U3W,5U3V,5U3U,5U3T,5U3S,5U3R,5U3Q,1Y0S,3PEQ,3GWX,3DY6,1GWX,7F80,5ZXI,5Y7X,5XMX,3TKM,8ZNN,6A6P,8HF8,7W0G,3SP9 Peroxisome proliferator-activated receptor delta PPARD_HUMAN Q03181 A8K6J6 B4E3V3 B6ZGS1 B7Z3W1 E9PE18 Q5D1P0 Q7Z5K0 Q9BUD4 51638993 O=C(O)c1ccnc(NC(=O)c2ccc(OCCCc3ccccc3)cc2)c1 InChI=1S/C22H20N2O4/c25-21(24-20-15-18(22(26)27)12-13-23-20)17-8-10-19(11-9-17)28-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2,(H,26,27)(H,23,24,25) OFNNBSCWANHPFA-UHFFFAOYSA-N 50659886 CHEMBL6167160 Leukotriene A-4 hydrolase Homo sapiens 450 ChEMBL 10.7270/Q2348R8N 40045167 Wei, C; Liu, Y; Yan, Z; Han, J; Jiang, N //0 6/5/2026 The Fifth Affiliated Hospital of Guangxi Medical University & The First People's Hospital of Nanning http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50659886 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2448&target=Leukotriene+A-4+hydrolase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50659886&enzyme=Leukotriene+A-4+hydrolase&column=ki&startPg=0&Increment=50&submit=Search 1 MPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNLRSLVLDTKDLTIEKVVINGQEVKYALGERQSYKGSPMEISLPIALSKNQEIVIEISFETSPKSSALQWLTPEQTSGKEHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGETPDPEDPSRKIYKFIQKVPIPCYLIALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKIAEDLGGPYVWGQYDLLVLPPSFPYGGMENPCLTFVTPTLLAGDKSLSNVIAHEISHSWTGNLVTNKTWDHFWLNEGHTVYLERHICGRLFGEKFRHFNALGGWGELQNSVKTFGETHPFTKLVVDLTDIDPDVAYSSVPYEKGFALLFYLEQLLGGPEIFLGFLKAYVEKFSYKSITTDDWKDFLYSYFKDKVDVLNQVDWNAWLYSPGLPPIKPNYDMTLTNACIALSQRWITAKEDDLNSFNATDLKDLSSHQLNEFLAQTLQRAPLPLGHIKRMQEVYNFNAINNSEIRFRWLRLCIQSKWEDAIPLALKMATEQGRMKFTRPLFKDLAAFDKSHDQAVRTYQEHKASMHPVTAMLVGKDLKVD 5FWQ,7LLQ,4MS6,4MKT,4L2L,4DPR,3FUN,3FUM,3FUL,3FUK,3FUJ,3FUI,3FUH,3FUF,3FUE,3FUD,3FU6,3FU5,3FU3,3FU0,3FTZ,3FTY,3FTX,3FTW,3FTV,3FTU,3FTS,3FHE,3FH8,3FH7,3FH5,2VJ8,1HS6,5N3W,5BPP,4RVB,4RSY,4R7L,3CHS,3CHR,3CHQ,3CHP,3CHO,8RX9,8RX7,8RX3,8QQ4,8QPN,8QOW,8AWH,8AVA,7AV2,7AV1,7AV0,7AUZ,6END,6ENC,3B7U,3B7R,2R59,7KZE,6O5H,5AEN,3U9W,8TWX Leukotriene A-4 hydrolase LKHA4_HUMAN P09960 B4DNQ9 F8VV40 Q6IAT6 Q9UCT7 51638994 CC(C)(C)c1ccc(cc1)-n1cnc2c(NC(=O)Cc3ccc(cc3)C(O)=O)cccc12 InChI=1S/C26H25N3O3/c1-26(2,3)19-11-13-20(14-12-19)29-16-27-24-21(5-4-6-22(24)29)28-23(30)15-17-7-9-18(10-8-17)25(31)32/h4-14,16H,15H2,1-3H3,(H,28,30)(H,31,32) VEHCUCLQBZOABJ-UHFFFAOYSA-N 50614632 CHEMBL5290209 Peroxisome proliferator-activated receptor gamma Homo sapiens 2100 ChEMBL 10.7270/Q2348R8N 40045167 Wei, C; Liu, Y; Yan, Z; Han, J; Jiang, N //0 6/5/2026 The Fifth Affiliated Hospital of Guangxi Medical University & The First People's Hospital of Nanning http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50614632 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2209&target=Peroxisome+proliferator-activated+receptor+gamma&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50614632&enzyme=Peroxisome+proliferator-activated+receptor+gamma&column=ki&startPg=0&Increment=50&submit=Search 171358562 494504380 1 MGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDLSVMEDHSHSFDIKPFTTVDFSSISTPHYEDIPFTRTDPVVADYKYDLKLQEYQSAIKVEPASPPYYSEKTQLYNKPHEEPSNSLMAIECRVCGDKASGFHYGVHACEGCKGFFRRTIRLKLIYDRCDLNCRIHKKSRNKCQYCRFQKCLAVGMSHNAIRFGRMPQAEKEKLLAEISSDIDQLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY 3E00,3DZY,3DZU,6L8B,6JQ7,6IJR,5YCP,5YCN,5GTP,5GTO,5GTN,7CXH,7CXG,9HX2,7CXI,4YT1,4O8F,3WMH,3VSP,3VSO,3VJI,3VJH,3HOD,3HO0,3D6D,3CDS,3CDP,3B3K,3AN4,3AN3,2ZNO,2ZK6,2ZK5,2ZK4,2ZK3,2ZK2,2ZK1,2ZK0,2I4Z,2I4P,2I4J,6ENQ,6AN1,3PO9,3PBA,6KTN,6KTM,8C0C,8ADF,7CXK,7CXL,7CXF,1I7I,3VN2,7CXJ,7CXE,3OSW,3OSI,1NYX,9V8H,9V8G,9V8E,9V8D,9OLC,8ZFT,8ZFS,8ZFR,8ZFQ,8ZFP,8ZFO,8ZFN,8FHG,8FHF,8FHE,8CPJ,8CPI,8CPH,8ATZ,8ATY,7P4E,7AWD,7AWC,7A7H,6Y3U,6VZO,6VZL,6TSG,6T6B,6PDZ,6ONJ,6ONI,6O68,6O67,6MD4,6MD2,6MD1,6MD0,6MCZ,6FZP,6DGO,4R2U,9R6K,9R6I,9O9N,9IWK,9CWN,9CK0,8HUP,8HUM,8FKG,8FKF,8FKE,8FKD,8FKC,8B95,8B94,8B93,8B92,8B90,8B8Y,8B8X,8B8W,8AQN,8AQM,7WGQ,7WGP,7WGO,7RLE,6DGQ,6DGL,6AVI,6AUG,4XLD,3TY0,3BC5,2P4Y,1ZEO,8U57,7SQB,7SQA,6IJS,6DGR,6DGP,6DCU,6DBH,6D94,6D8X,3R5N,2XKW,1KNU,9L3T,8SC9,8PBO,8HHQ,8HHP,7WOX,7LOT,7EFQ,6JF0,6JEY,5WR1,5WR0,5WQX,5AZV,4XUM,4XUH,4XTA,3X1I,3X1H,3SZ1,2VV4,2VV3,2VV2,2VV1,2VV0,2VST,2VSR,2OM9,3PRG,3B0R,3B0Q,6C1I,9V8F,6E5A,5U5L,5TTO,4R06,2Q6S,2Q6R,2Q61,2Q5S,2Q5P,2Q59,6MS7,9MAH,8WFE,8DK4,6ILQ,6ICJ,5TWO,4CI5,3KMG,3K8S,3H0A,3FUR,2POB,1ZGY,1FM9,1FM6,8DSZ,8DSY,8DKV,8DKN,5JI0,2HFP,1K74,9F7X,9F7W,8BFF,8BF2,8BF1,6IZN,6IZM,5Z6S,5Z5S,4F9M,3V9Y,3V9V,3V9T,3T03,3S9S,3LMP,3B1M,3WJ5,3WJ4,9QGJ,9QG6,9QG5,9QG4,9QG3,9QG2,9QG0,9QFZ,9GZI,9GZF,9GZC Peroxisome proliferator-activated receptor gamma PPARG_HUMAN P37231 A8K3G6 B5BUA1 O00684 O00710 O14515 Q0QJH8 Q15178 Q15179 Q15180 Q15832 Q86U60 Q96J12 51638995 OC(=O)C1(CC1)c1cccc(c1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(-8.73,1.33,;-7.24,1.73,;-6.15,.64,;-6.84,3.22,;-7.24,4.71,;-8.33,3.62,;-5.35,3.62,;-4.96,5.17,;-3.49,5.56,;-2.4,4.47,;-2.79,2.99,;-4.26,2.53,;-1.7,1.91,;-.22,2.29,;.87,1.21,;.48,-.27,;1.57,-1.36,;3.05,-.89,;4.14,-1.98,;3.98,-3.46,;5.38,-4.08,;6.47,-2.99,;5.69,-1.59,;6.32,-.19,;5.38,1.05,;3.83,.89,;6,2.45,;7.56,2.61,;8.42,1.36,;7.79,-.04,;8.73,-1.28,;2.66,-4.24,;1.88,-5.56,;1.1,-4.24,;-1,-.74,;-2.09,.35,)| InChI=1S/C29H23Cl2NO4/c30-23-5-2-6-24(31)25(23)26-22(27(36-32-26)18-7-8-18)16-35-21-11-9-17(10-12-21)19-3-1-4-20(15-19)29(13-14-29)28(33)34/h1-6,9-12,15,18H,7-8,13-14,16H2,(H,33,34) GFQRXOXNBQDNBC-UHFFFAOYSA-N 50621752 CHEMBL5396467 Fatty acid-binding protein, liver Homo sapiens 2700 ChEMBL 10.7270/Q2348R8N 40045167 Wei, C; Liu, Y; Yan, Z; Han, J; Jiang, N //0 6/5/2026 The Fifth Affiliated Hospital of Guangxi Medical University & The First People's Hospital of Nanning http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621752 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6128&target=Fatty+acid-binding+protein%2C+liver&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621752&enzyme=Fatty+acid-binding+protein%2C+liver&column=ki&startPg=0&Increment=50&submit=Search 1 MSFSGKYQLQSQENFEAFMKAIGLPEELIQKGKDIKGVSEIVQNGKHFKFTITAGSKVIQNEFTVGEECELETMTGEKVKTVVQLEGDNKLVTTFKNIKSVTELNGDIITNTMTLGDIVFKRISKRI 6DRG,6DO7,6DO6,6MP4,2F73,2PY1,7G1X,7G0W,7G00,7FYA,7FY8,7FXO,2LKK,2L68,2L67,3VG7,3VG6,3VG5,3VG4,3VG3,3VG2,3STN,3STM,3STK,3B2L,3B2K,3B2J,3B2I,3B2H Fatty acid-binding protein, liver FABPL_HUMAN P07148 51638996 O=C(O)c1cccc2nc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3)cn12 InChI=1S/C27H19Cl2N3O4/c28-19-3-1-4-20(29)24(19)25-18(26(36-31-25)16-7-8-16)14-35-17-11-9-15(10-12-17)21-13-32-22(27(33)34)5-2-6-23(32)30-21/h1-6,9-13,16H,7-8,14H2,(H,33,34) RMIWMNGBIVAOCH-UHFFFAOYSA-N 50659887 CHEMBL6144920 17-beta-hydroxysteroid dehydrogenase 13 Homo sapiens 850 ChEMBL 10.7270/Q2348R8N 40045167 Wei, C; Liu, Y; Yan, Z; Han, J; Jiang, N //0 6/5/2026 The Fifth Affiliated Hospital of Guangxi Medical University & The First People's Hospital of Nanning http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50659887 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=917&target=17-beta-hydroxysteroid+dehydrogenase+13&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50659887&enzyme=17-beta-hydroxysteroid+dehydrogenase+13&column=ki&startPg=0&Increment=50&submit=Search 1 MNIILEILLLLITIIYSYLESLVKFFIPQRRKSVAGEIVLITGAGHGIGRQTTYEFAKRQSILVLWDINKRGVEETAAECRKLGVTAHAYVVDCSNREEIYRSLNQVKKEVGDVTIVVNNAGTVYPADLLSTKDEEITKTFEVNILGHFWITKALLPSMMERNHGHIVTVASVCGHEGIPYLIPYCSSKFAAVGFHRGLTSELQALGKTGIKTSCLCPVFVNTGFTKNPSTRLWPVLETDEVVRSLIDGILTNKKMIFVPSYINIFLRLQKFLPERASAILNRMQNIQFEAVVGHKIKMK 17-beta-hydroxysteroid dehydrogenase 13 DHB13_HUMAN Q7Z5P4 A8K9R9 Q2M1L5 Q86W22 Q86W23