BJJF078

BJJF078 is an inhibitor of transglutaminase 2 (TG2, IC50s = 41 and 54 nM for the human and mouse enzymes, respectively). It is selective for TG2 over Factor XII (IC50 = 22 µM for the human enzyme) but does inhibit TG1 (IC50 = 0. µM for the human enzyme).InChI: InChI=1S/C27H29N3O6S/c1-4-26(31)28-19-13-15-30(16-14-19)37(33,34)25-10-6-7-20-21(25)8-5-9-22(20)29-27(32)18-11-12-23(35-2)24(17-18)36-3/h4-12,17,19H,1,13-16H2,2-3H3,(H,28,31)(H,29,32) InChIKey: IJRQXDUGUAWTNT-UHFFFAOYSA-N SMILES: O=C(C1=CC=C(C(OC)=C1)OC)NC2=CC=CC3=C(S(=O)(N4CCC(NC(C=C)=O)CC4)=O)C=CC=C32