CASP9

Reference Set (28 Compounds)

CCCc1nc2c(=O)n(C)c(=O)nc-2n(C)n1 ZINC000004512024

ZINC000004512024 (search)

Cn1nc(-c2ccccn2)nc2c(=O)n(C)c(=O)nc1-2 ZINC000000488316

ZINC000000488316 (search)

O=C1Cc2ccccc2C(=O)N1 ZINC000001601221

ZINC000001601221 (search)

O=c1[nH]c(Nc2ccc(F)cc2)cc2ccccc12 ZINC000008686143

ZINC000008686143 (search)

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)CF ZINC000003979277

ZINC000003979277 (search)

O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 ZINC000003940612

ZINC000003940612 (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[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O ZINC000003982753

ZINC000003982753 (search)

O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3CNc3ccccc3)cc2C1=O ZINC000003921763

ZINC000003921763 (search)

COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2 ZINC000003871900

ZINC000003871900 (search)

O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc2C1=O ZINC000013676453

ZINC000013676453 (search)

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

ZINC000026646187 (search)

O=C1C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21 ZINC000013863068

ZINC000013863068 (search)

CN1C(=O)C(=O)c2cc([N+](=O)[O-])ccc21 ZINC000004141329

ZINC000004141329 (search)

CC(C)[C@H](NC(=O)OCc1ccc(Cl)cc1Cl)C(=O)N[C@H](CC(=O)O)C(=O)CF ZINC000006716153

ZINC000006716153 (search)

CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)N[C@H](CC(=O)O)C(=O)CF ZINC000001550454

ZINC000001550454 (search)

CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)Oc1ccccc1)CC(=O)O ZINC000219193592

ZINC000219193592 (search)

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O ZINC000198204254

ZINC000198204254 (search)

$CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C(\Cl)S(C)(=O)=O)CC(=O)O ZINC000198202498$

ZINC000198202498 (search)

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O ZINC000221907040

ZINC000221907040 (search)

$CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@H](/C=C(\Cl)S(C)(=O)=O)CC(=O)O ZINC000219194642$

ZINC000219194642 (search)

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C(=O)O)C(=O)CF ZINC000028825332

ZINC000028825332 (search)

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O ZINC000095581513

ZINC000095581513 (search)

CCOC(=O)/C=C/[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C ZINC000095584156

ZINC000095584156 (search)

CC(C)(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O ZINC000095583147

ZINC000095583147 (search)

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O ZINC000095581891

ZINC000095581891 (search)

CC(C)(C)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O ZINC000095583085

ZINC000095583085 (search)

CCc1ccccc1NC(=O)N1C[C@@H](C)Oc2cc(-c3ccc([C@H]4CC[C@H](CC(=O)O)CC4)cc3)ccc21 ZINC000261155315

ZINC000261155315 (search)