TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T59445 Sorbitoldehydrogenase B68GMZ 6,7-Dihydroxycoumarin-4-acetic Acid Investigative 5393159 C11H8O6 236.18 C1=C(C2=CC(=C(C=C2OC1=O)O)O)CC(=O)O IC50 = 335000 nM Non binder T59445 Sorbitoldehydrogenase B8G1ND 6-Hydroxycoumarin Investigative 99477 C9H6O3 162.14 C1=CC2=C(C=CC(=O)O2)C=C1O IC50 > 400000 nM Non binder T59445 Sorbitoldehydrogenase BCM95O Nordalbergin Investigative 5320203 C15H10O4 254.24 C1=CC=C(C=C1)C2=CC(=O)OC3=CC(=C(C=C23)O)O IC50 = 288000 nM Non binder T59445 Sorbitoldehydrogenase BV6S0C 4-Hydroxycoumarin Investigative 54682930 C9H6O3 162.14 C1=CC=C2C(=C1)C(=CC(=O)O2)O IC50 > 400000 nM Non binder T59445 Sorbitoldehydrogenase BWFV42 4-Methylesculetin Investigative 5319502 C10H8O4 192.17 CC1=CC(=O)OC2=CC(=C(C=C12)O)O IC50 = 212000 nM Non binder T59445 Sorbitoldehydrogenase D03ZMQ COUMARIN Investigative 323 C9H6O2 146.14 C1=CC=C2C(=C1)C=CC(=O)O2 IC50 > 400000 nM Non binder T59445 Sorbitoldehydrogenase D0E0RW ISOSCOPOLETIN Investigative 69894 C10H8O4 192.17 COC1=C(C=C2C=CC(=O)OC2=C1)O IC50 > 250000 nM Non binder