CALCA

Reference Set (30 Compounds)

NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000098052868

ZINC000098052868 (search)

O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21 ZINC000043203371

ZINC000043203371 (search)

O=C1NC2(CCCC2)CN(Cc2ccc3cc4c(cc3n2)C[C@]2(C4)C(=O)Nc3ncccc32)[C@@H]1Cc1ccccc1 ZINC000145288494

ZINC000145288494 (search)

O=C1N[C@H](Cc2ccccc2)CN(Cc2ccc3cc4c(cc3n2)C[C@]2(C4)C(=O)Nc3ncccc32)[C@H]1c1ccccc1 ZINC000169703601

ZINC000169703601 (search)

O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(CN4CCNCC4)nc3cc1C2 ZINC000169703603

ZINC000169703603 (search)

CC1(C)CN(Cc2ccc3cc4c(cc3n2)C[C@]2(C4)C(=O)Nc3ncccc32)[C@@H](Cc2ccccc2)C(=O)N1 ZINC000116059120

ZINC000116059120 (search)

O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000028827350

ZINC000028827350 (search)

O=C1[C@@H](c2ccc(F)cc2)NCCN1Cc1ccc2cc3c(cc2n1)C[C@@]1(CNc2ncccc21)C3 ZINC000169703594

ZINC000169703594 (search)

O=C1COc2ccccc2N1Cc1ccc2cc3c(cc2n1)C[C@@]1(CNc2ncccc21)C3 ZINC000169703596

ZINC000169703596 (search)

O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(CN4CCNC[C@@H]4c4ccccc4)nc3cc1C2 ZINC000169703597

ZINC000169703597 (search)

CN(C)C(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000073140560

ZINC000073140560 (search)

C[C@@]1(Cc2ccccc2)C(=O)NC2(CCCC2)CN1Cc1ccc2cc3c(cc2n1)C[C@]1(C3)C(=O)Nc2ncccc21 ZINC000169703599

ZINC000169703599 (search)

CN1C(=O)NC(=O)[C@]12Cc1cc3ccc(CN4C(=O)C(C)(C)Nc5ccccc54)nc3cc1C2 ZINC000116060743

ZINC000116060743 (search)

O=C1NC2(CCCC2)CN(Cc2ccc3cc4c(cc3n2)C[C@]2(C4)C(=O)Nc3ncccc32)[C@H]1c1ccccc1 ZINC000169703604

ZINC000169703604 (search)

CC(C)(C)OC(=O)N1CCN(Cc2ccc3cc4c(cc3n2)C[C@]2(C4)C(=O)Nc3ncccc32)C[C@@H]1c1ccccc1 ZINC000169703606

ZINC000169703606 (search)

C[C@@H]1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4CCC(Cn5ccnc5)CC4)nc3cc1C2 ZINC000169703621

ZINC000169703621 (search)

CN1C[C@H]2CN(Cc3ccc4cc5c(cc4n3)C[C@]3(C5)C(=O)Nc4ncccc43)C[C@H]2C1 ZINC000169703608

ZINC000169703608 (search)

O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(CN4CCc5c([nH]c6ccccc56)C4)nc3cc1C2 ZINC000169703625

ZINC000169703625 (search)

O=C(CNC(=O)c1nc(N2CCCCS2(=O)=O)cc(Br)c1O)NC12CC3CC(CC(C3)C1)C2 ZINC000073140054

ZINC000073140054 (search)

C[C@@H]1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4CCC(Cc5ccccc5)CC4)nc3cc1C2 ZINC000169703616

ZINC000169703616 (search)

CC(C)[C@H]1CN(C)CCN1Cc1ccc2cc3c(cc2n1)C[C@@]1(C3)C(=O)NC(=O)[C@@H]1C ZINC000169703620

ZINC000169703620 (search)

CC(C)(C)OC(=O)CNC(=O)c1nc(N2CCCCS2(=O)=O)cc(Br)c1O ZINC000038335842

ZINC000038335842 (search)

O=C(CNC(=O)c1nc(N2CCCCS2(=O)=O)cc(Br)c1O)NC1CCC1 ZINC000073139725

ZINC000073139725 (search)

O=C(NCc1cc(F)cc(F)c1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O ZINC000073138808

ZINC000073138808 (search)

O=C(NCc1cc(F)cc(F)c1)c1nc(N2CCCCS2(=O)=O)cc(Br)c1O ZINC000003948548

ZINC000003948548 (search)

CN1C(=O)NC(=O)[C@@]12Cc1cc3ccc(CN4CCC(Cc5ccccc5)CC4)nc3cc1C2 ZINC000116056318

ZINC000116056318 (search)

O=C(NCc1cccc(F)c1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O ZINC000073138574

ZINC000073138574 (search)

O=C(NCc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O ZINC000000603702

ZINC000000603702 (search)

O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(CN4CCC5(CC4)OCc4ccccc45)nc3cc1C2 ZINC000169703614

ZINC000169703614 (search)

CC(C)(C)OC(=O)CNC(=O)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O ZINC000073141661

ZINC000073141661 (search)