SMILES for Malate dehydrogenase, mitochondrial

157 SMILES Strings for Malate dehydrogenase, mitochondrial

Compound Name

SMILES String

BDBM7307

Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1

BDBM50522558

C=Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522591

C=Cc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50404713

CC(=O)c1ccc2c(O)c(cnc2c1)C(O)=O

BDBM50250225

CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N2CCN(CC#C)CC2)cc1

BDBM50250245

CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1

BDBM50250222

CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NC23CC4CC(CC(O)(C4)C2)C3)cc1 |TLB:27:17:25:22.21.20,16:17:25:22.21.20,THB:22:23:18:27.21.20,22:21:18:25.23.26,27:21:25:17.18.26,24:23:18:27.21.20|

BDBM50250223

CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2cc(ccc2O)C(=O)OCC#C)cc1

BDBM50250227

CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2ccc(cc2)C(F)(F)F)cc1

BDBM50300050

CC(C)(C)c1ccc2[nH]c-3c(CC(=O)N(Cc4ccc(Cl)c(Cl)c4)c4ccccc-34)c2c1

BDBM50300059

CC(C)(C)c1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1

BDBM23223

CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|

BDBM50300044

CCCCCCCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50300045

CCCCCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50300046

CCCCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50250238

CCCCCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1

BDBM50300047

CCCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50250248

CCCCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1

BDBM50300048

CCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50250239

CCCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1

BDBM50300049

CCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50250216

CCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1

BDBM50522532

CCc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522590

CCc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50404727

CN(C)c1ccc2c(O)c(cnc2c1)C(O)=O

BDBM50250226

CN1CCN(CC1)c1ccc(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)cc1

BDBM50250219

COC(=O)c1ccc(O)c(NC(=O)C(C)(C)Oc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

BDBM50250221

COC(=O)c1ccc(O)c(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

BDBM50250218

COC(=O)c1ccc(O)c(NC(=O)CCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

BDBM50250235

COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

BDBM50400094

COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|

BDBM50250231

COC(=O)c1ccc(OC)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

BDBM50250230

COC(=O)c1ccc(OCC#C)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

BDBM50250247

COC(=O)c1ccc(OCCCN2CCOCC2)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:37:32:39:38.36.35,37:36:39:33.32.31,33:34:38:32.37.31,THB:33:32:38:39.34.35|

BDBM50250232

COC(=O)c1ccc(OCCN2CCCC2)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:35:30:37:36.34.33,35:34:37:31.30.29,31:32:36:30.35.29,THB:31:30:36:37.32.33|

BDBM50250246

COC(=O)c1ccc(OCCN2CCOCC2)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

BDBM50300061

COC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

BDBM50250243

COC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

BDBM50250220

COC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:29:24:31:28.27.30,29:28:31:25.24.23,THB:23:24:27:31.22.30,23:22:25.24.29:27|

BDBM50250244

COC(=O)c1cccc(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

BDBM50250242

COC(=O)c1cccc(NC(=O)CCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

BDBM50250240

COC(=O)c1cccc(NC(=O)COc2ccc(C)cc2)c1

BDBM50250236

COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

BDBM50250249

COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C(F)(F)F)c1

BDBM50250237

COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C2CCCC2)c1

BDBM50250250

COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C2CCCCC2)c1

BDBM50250241

COC(=O)c1cccc(NC(=O)COc2ccc(cc2)[N+]([O-])=O)c1

BDBM50250217

COCCOc1ccc(cc1NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)C(=O)OC

BDBM23226

COc1cc(CCOc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)ccc1NC(=O)C(O)=O

BDBM23224

COc1cc(COc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)ccc1NC(=O)C(O)=O

BDBM50300054

COc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1

BDBM23229

COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(OC)c4)cc3o2)cc1

BDBM23228

COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(c4)C#N)cc3o2)cc1

BDBM23227

COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)cc4)cc3o2)cc1

BDBM50522576

COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522553

COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522577

COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522542

COc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50300056

COc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1

BDBM50522540

COc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522521

COc1cccc(c1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522518

COc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522554

COc1ccccc1S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522523

CS(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522589

CS(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50404711

CS(=O)(=O)c1ccc2c(O)c(cnc2c1)C(O)=O

BDBM50300055

Cc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1

BDBM50300052

Cc1ccc(CN2c3ccccc3-c3[nH]c4ccccc4c3CC2=O)cc1

BDBM50522597

Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522537

Cc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50300057

Cc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1

BDBM50522525

Cc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522539

Cc1cccc(c1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522538

Cc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522582

Cc1ccccc1S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50300053

Clc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1Cl

BDBM50300051

Clc1ccc(CN2c3ccccc3-c3[nH]c4ccccc4c3CC2=O)cc1Cl

BDBM50522534

Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522599

Clc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522549

Clc1ccc(cc1Cl)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522563

Clc1ccc(cc1Cl)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522588

Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522579

Clc1ccc(s1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50300060

Clc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1

BDBM50522601

Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522552

Clc1cccc(c1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522543

Clc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522598

Clc1ccccc1S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50031519

FC(F)(F)C1(N=N1)c1ccc(COC(=O)C23CC4CC(C2)CC(C4)(C3)c2ccc(OCC#C)cc2)cc1 |c:5,TLB:23:22:16.17.18:20,THB:23:17:20:24.22.21,21:22:16:18.19.20,21:19:16:24.23.22,25:22:16:18.19.20,25:22:16.17.18:20|

BDBM50522575

FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522520

FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522556

FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522580

FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50300058

FC(F)(F)c1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1

BDBM50522574

FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522529

FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522524

FC(F)(F)c1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522536

FC(F)(F)c1ccccc1S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522573

Fc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522550

Fc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522517

Fc1ccc(cc1C(F)(F)F)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522541

Fc1ccc(cc1C(F)(F)F)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522548

Fc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522519

Fc1cccc(c1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522526

Fc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522557

Fc1ccccc1S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM23222

NC(=O)C(O)=O

BDBM50404708

NC(=O)c1ccc2c(O)c(cnc2c1)C(O)=O

BDBM50433836

NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1

BDBM50404716

NS(=O)(=O)c1ccc2c(O)c(cnc2c1)C(O)=O

BDBM50301375

N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O |r|

BDBM50031516

O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cccc(c1)C(=O)c1ccc(OCC#C)cc1 |TLB:7:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10|

BDBM50031517

O=C(Nc1cccc(c1)C(=O)c1ccc(OCC#C)cc1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:27:30:33.32.37:35,THB:31:32:35:39.30.38,31:30:33.32.37:35,38:30:33:37.36.35,38:36:33:39.31.30|

BDBM50522561

O=S(=O)(Nc1ccc(cc1)-c1nc2ccccc2o1)c1ccccc1

BDBM50522572

O=S(=O)(Nc1ccc(cc1)-c1nc2ccccc2o1)c1cccs1

BDBM50522578

O=S(=O)(Nc1ccc2oc(nc2c1)-c1ccccc1)c1ccccc1

BDBM50522528

O=S(=O)(Nc1ccc2oc(nc2c1)-c1ccccc1)c1cccs1

BDBM23225

OC(=O)C(=O)Nc1ccc(CCOc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)cc1

BDBM23231

OC(=O)C(=O)Nc1ccc(CCOc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)cc1C#N

BDBM50404728

OC(=O)c1ccc2c(O)c(cnc2c1)C(O)=O

BDBM50404718

OC(=O)c1cnc2cc(Cl)ccc2c1O

BDBM50404721

OC(=O)c1cnc2cc(F)ccc2c1O

BDBM50404707

OC(=O)c1cnc2cc(O)ccc2c1O

BDBM50404715

OC(=O)c1cnc2cc(OCCOc3ccc(Br)cc3)ccc2c1O

BDBM50404720

OC(=O)c1cnc2cc(OCCOc3ccc(F)cc3)ccc2c1O

BDBM50404702

OC(=O)c1cnc2cc(OCCOc3ccc(Oc4ccccc4)cc3)ccc2c1O

BDBM50404709

OC(=O)c1cnc2cc(OCCOc3ccc4ccccc4c3)ccc2c1O

BDBM50404719

OC(=O)c1cnc2cc(OCCOc3ccccc3)ccc2c1O

BDBM50404714

OC(=O)c1cnc2cc(OCCc3ccc(Br)cc3)ccc2c1O

BDBM50404723

OC(=O)c1cnc2cc(OCCc3ccc(F)cc3)ccc2c1O

BDBM50404705

OC(=O)c1cnc2cc(OCCc3ccc(Oc4ccccc4)cc3)ccc2c1O

BDBM50404703

OC(=O)c1cnc2cc(OCCc3ccc4ccccc4c3)ccc2c1O

BDBM50404729

OC(=O)c1cnc2cc(OCCc3ccccc3)ccc2c1O

BDBM50404724

OC(=O)c1cnc2cc(OCc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)ccc2c1O

BDBM50404706

OC(=O)c1cnc2cc(OCc3ccc(Br)cc3)ccc2c1O

BDBM50404717

OC(=O)c1cnc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c1O

BDBM50404704

OC(=O)c1cnc2cc(OCc3ccc(F)cc3)ccc2c1O

BDBM50404710

OC(=O)c1cnc2cc(OCc3ccc(Oc4ccccc4)cc3)ccc2c1O

BDBM50404726

OC(=O)c1cnc2cc(OCc3ccc4ccccc4c3)ccc2c1O

BDBM50404722

OC(=O)c1cnc2cc(OCc3cccc4ccccc34)ccc2c1O

BDBM50404725

OC(=O)c1cnc2cc(OCc3ccccc3)ccc2c1O

BDBM50404712

OC(=O)c1cnc2cc(ccc2c1O)S(O)(=O)=O

BDBM50404701

OC(=O)c1cnc2cc(ccc2c1O)[N+]([O-])=O

BDBM50052254

OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1|

BDBM50522535

Oc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522592

Oc1ccc(cc1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50031518

Oc1ccc(cc1NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)OCc1ccc(cc1)C1(N=N1)C(F)(F)F)C2)C(=O)OCC#C |c:43,TLB:44:18:25:21.22.23,15:18:25:21.22.23,15:18:25.20.21:23,THB:19:20:23:26.18.44,19:18:25.20.21:23,44:22:25:26.19.18|

BDBM50031514

Oc1ccc(cc1NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)C(=O)OCC#C |TLB:15:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|

BDBM50031520

Oc1ccc(cc1NC(=O)COc1ccc(cc1C1(N=N1)C(F)(F)F)C12CC3CC(CC(C3)C1)C2)C(=O)OCC#C |c:21,TLB:15:25:28.27.32:30,THB:26:27:30:34.25.33,26:25:28.27.32:30,33:25:28:32.31.30,33:31:28:34.26.25,15:25:28:32.31.30|

BDBM50031515

Oc1ccc(cc1NC(=O)COc1ccccc1)C(=O)OCC#C

BDBM50031521

Oc1ccc(cc1NC(=O)COc1ccccc1C1(N=N1)C(F)(F)F)C(=O)OCC#C |c:21|

BDBM50522600

Oc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522545

Oc1cccc(c1)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522551

Oc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522533

Oc1ccccc1S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1

BDBM50522544

[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM50522581

[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc2oc(nc2c1)-c1ccccc1