Casp1

Reference Set (86 Compounds)

CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O ZINC000003982753

ZINC000003982753 (search)

CC(C)C[C@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O ZINC000003963763

ZINC000003963763 (search)

CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1cccc2ccccc12 ZINC000027110044

ZINC000027110044 (search)

CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O ZINC000026646187

ZINC000026646187 (search)

CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccc(-c2ccccc2)cc1 ZINC000027183935

ZINC000027183935 (search)

CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccc2ccccc2c1 ZINC000027109756

ZINC000027109756 (search)

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)O[C@@H]1O)C(C)C ZINC000026669833

ZINC000026669833 (search)

O=C1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[C@H](NC(=O)OCc4ccccc4)C(=O)N32)[C@H](O)O1 ZINC000026657209

ZINC000026657209 (search)

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)O[C@@H]1O ZINC000026660562

ZINC000026660562 (search)

CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]1CC(=O)O[C@@H]1O)C(C)C ZINC000013819019

ZINC000013819019 (search)

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)O[C@@H]1O ZINC000026669925

ZINC000026669925 (search)

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)O[C@@H]1O ZINC000026660610

ZINC000026660610 (search)

O=C1C[C@H](NC(=O)[C@@H]2CS[C@@H]3CCC[C@H](NC(=O)OCc4ccccc4)C(=O)N32)[C@H](O)O1 ZINC000026661982

ZINC000026661982 (search)

C[C@@H](C(=O)N[C@H]1CC(=O)O[C@@H]1O)N1CCCC[C@H](NC(=O)OCc2ccccc2)C1=O ZINC000026664242

ZINC000026664242 (search)

CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)O[C@@H]1O)C(C)C ZINC000026662615

ZINC000026662615 (search)

O=C(CN1CCCC[C@H](NC(=O)OCc2ccccc2)C1=O)N[C@H]1CC(=O)O[C@H]1O ZINC000026665198

ZINC000026665198 (search)

C[C@@H](C(=O)N[C@H]1CC(=O)O[C@@H]1O)N1CC[C@H](NC(=O)OCc2ccccc2)C1=O ZINC000026659863

ZINC000026659863 (search)

O=C1C[C@H](NC(=O)[C@@H]2CS[C@H]3CC[C@H](NC(=O)OCc4ccccc4)C(=O)N32)[C@H](O)O1 ZINC000026659501

ZINC000026659501 (search)

C[C@H](NC(=O)C(=O)Nc1cccc2c1CCCC2)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC001772588974

ZINC001772588974 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)CF ZINC000034013047

ZINC000034013047 (search)

CC(C)[C@H](NC(=O)C(=O)NCc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026650897

ZINC000026650897 (search)

Cc1cc(OCC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)C(=O)Nc2cccc3ccccc23)C(C)C)cc(=O)o1 ZINC000135882822

ZINC000135882822 (search)

CC(C)[C@H](NC(=O)C(=O)N[C@@H]1CCCc2ccccc21)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026640596

ZINC000026640596 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1c(F)cccc1F)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026638136

ZINC000026638136 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 ZINC000049836430

ZINC000049836430 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1cnccn1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026638146

ZINC000026638146 (search)

C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 ZINC000038141800

ZINC000038141800 (search)

C[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 ZINC001772581639

ZINC001772581639 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000003934234

ZINC000003934234 (search)

CC(C)[C@H](NC(=O)C(=O)NCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026580106

ZINC000026580106 (search)

COc1ccccc1NC(=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F)C(C)C ZINC000026645417

ZINC000026645417 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026653628

ZINC000026653628 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000003934236

ZINC000003934236 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)CO[P@@](C)(=O)c1ccccc1 ZINC000026580342

ZINC000026580342 (search)

O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 ZINC000028713406

ZINC000028713406 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026639640

ZINC000026639640 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1I)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026652225

ZINC000026652225 (search)

C[C@H](NC(=O)C(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000028527150

ZINC000028527150 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccnc(C(F)(F)F)n1 ZINC000026640310

ZINC000026640310 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)cccc1F ZINC000026642288

ZINC000026642288 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026653657

ZINC000026653657 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)cc(F)cc1F ZINC000003934235

ZINC000003934235 (search)

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(=O)O)C(C)C ZINC000003915255

ZINC000003915255 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1Br)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026652230

ZINC000026652230 (search)

C/C=C/OC(=O)Oc1ccc(OCC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)C(=O)Nc2cccc3ccccc23)C(C)C)cc1 ZINC001772597909

ZINC001772597909 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026649425

ZINC000026649425 (search)

C[C@H](NC(=O)C(=O)Nc1cccc2c1CCCC2)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 ZINC001772579066

ZINC001772579066 (search)

C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 ZINC001772588814

ZINC001772588814 (search)

Cc1[nH]c2ccccc2c1CCNC(=O)C[C@H](C(=O)N[C@H](C=O)CC(=O)O)C(C)C ZINC000058575808

ZINC000058575808 (search)

C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 ZINC000038141799

ZINC000038141799 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1c(F)c(F)nc(F)c1F)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC001772596357

ZINC001772596357 (search)

CC(C)[C@H](CC(=O)NCCc1cccc2ncccc12)C(=O)N[C@H](C=O)CC(=O)O ZINC000058591078

ZINC000058591078 (search)

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CF ZINC000025668028

ZINC000025668028 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026648569

ZINC000026648569 (search)

CCCOc1ccc(OCC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)C(=O)Nc2cccc3ccccc23)C(C)C)cc1 ZINC001772582735

ZINC001772582735 (search)

CC(C)[C@H](NC(=O)C(=O)NC1=C[C@@H]2CCC[C@H]2C=C1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC001772590531

ZINC001772590531 (search)

Cc1nc2ccccc2n1CCNC(=O)C[C@H](C(=O)N[C@H](C=O)CC(=O)O)C(C)C ZINC000058592876

ZINC000058592876 (search)

C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000028527747

ZINC000028527747 (search)

C[C@H](NC(=O)C(=O)Nc1ccccc1-c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 ZINC000049933402

ZINC000049933402 (search)

C[C@H](NC(=O)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000028528102

ZINC000028528102 (search)

COC(=O)c1cc(OCC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)C(=O)Nc2cccc3ccccc23)C(C)C)no1 ZINC000026649320

ZINC000026649320 (search)

CCCCCCCc1ccc(NC(=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)COc2c(F)c(F)cc(F)c2F)C(C)C)cc1 ZINC000049683114

ZINC000049683114 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026649430

ZINC000026649430 (search)

C[C@H](NC(=O)C(=O)Nc1ccccc1F)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000028526660

ZINC000028526660 (search)

C[C@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000028526144

ZINC000028526144 (search)

C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccccc1F ZINC000139629141

ZINC000139629141 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1cccc2ccccc12 ZINC000026649052

ZINC000026649052 (search)

C[C@H](NC(=O)C(=O)NCc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 ZINC001772597214

ZINC001772597214 (search)

C[C@H](NC(=O)C(=O)Nc1ccccc1-c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000028526876

ZINC000028526876 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026644936

ZINC000026644936 (search)

C[C@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000028527369

ZINC000028527369 (search)

C[C@H](NC(=O)C(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 ZINC000049776264

ZINC000049776264 (search)

C[C@H](NC(=O)C(=O)Nc1ccccc1-c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccccc1F ZINC000135858924

ZINC000135858924 (search)

C[C@H](NC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(=O)O)C(=O)COP(=O)(c1ccccc1)c1ccccc1 ZINC001772576068

ZINC001772576068 (search)

CC(C)[C@H](NC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026647465

ZINC000026647465 (search)

CC(C)[C@H](NC(=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026644948

ZINC000026644948 (search)

CNC(=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F)C(C)C ZINC000026642294

ZINC000026642294 (search)

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O ZINC000003933036

ZINC000003933036 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1-c1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026650436

ZINC000026650436 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1F)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026648573

ZINC000026648573 (search)

CC(C)[C@H](NC(=O)C(=O)NCCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026637023

ZINC000026637023 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1ccccn1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000026580344

ZINC000026580344 (search)

C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)c(Br)c(F)c1F ZINC001772587014

ZINC001772587014 (search)

C[C@H](NC(=O)C(=O)NCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c1c(Cl)cccc1Cl ZINC001772578855

ZINC001772578855 (search)

CC(C)[C@H](NC(=O)C(=O)Nc1nc2ccccc2[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000139721995

ZINC000139721995 (search)

C[C@H](NC(=O)C(=O)NCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F ZINC000028525548

ZINC000028525548 (search)