SMILES for Isocitrate dehydrogenase [NADP], mitochondrial [40-452,R172K]

Compound Name

SMILES String

CCONc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F

CC(C)ONc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F

CC(C)(C)ONc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F

FC(F)(F)c1cccc(n1)-c1nc(NOCC2CC2)nc(Nc2ccnc(c2)C(F)(F)F)n1

CC(C)(O)CONc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F

CC(C)(CO)ONc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F

FC(F)(F)c1cccc(n1)-c1nc(NOCc2ccccc2)nc(Nc2ccnc(c2)C(F)(F)F)n1

CC(C)(C)ONc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1ccccc1

CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r|

CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r|

C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)[C@@H](CC1CC1)N1CCN(CC1)C(=O)C=C |r|

CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r|

CC[C@@H](N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r|

CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r|