TRAP1

Reference Set (39 Compounds)

COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C ZINC000043132634

ZINC000043132634 (search)

CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1 ZINC000100015656

ZINC000100015656 (search)

CC(C)N(CCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21)C(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 ZINC000150553686

ZINC000150553686 (search)

Nc1ncnc2c1nc(Sc1cc3c(cc1I)OCO3)n2CCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 ZINC000150544565

ZINC000150544565 (search)

CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000043130413

ZINC000043130413 (search)

COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C ZINC000014974583

ZINC000014974583 (search)

Nc1nc(Cl)c2cnn(Cc3cc4c(cc3Br)OCO4)c2n1 ZINC001772599969

ZINC001772599969 (search)

COc1c(C)cnc(Cn2ncc3c(Cl)nc(N)nc32)c1C ZINC000200043880

ZINC000200043880 (search)

COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3C(=O)N2)n1 ZINC000060329723

ZINC000060329723 (search)

CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21 ZINC000013679213

ZINC000013679213 (search)

$CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@H](C)[C@H]1O)C2=O ZINC000100014651$

ZINC000100014651 (search)

CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1ccc(OC)cc1 ZINC000073222985

ZINC000073222985 (search)

$CCNC(=O)C1=C(c2ccc(CN3CCOCC3)cc2)/C(=C2\C=C(C(C)C)C(=O)CC2=O)ON1 ZINC000014974931$

ZINC000014974931 (search)

$COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O ZINC000100064834$

ZINC000100064834 (search)

CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@@H](O)CC4)c3)c2C1 ZINC000102249129

ZINC000102249129 (search)

Cc1cn(-c2cc(F)c(C(N)=O)c(N[C@H]3CCOC3)c2)c2c1C(=O)CC(C)(C)C2 ZINC000068207165

ZINC000068207165 (search)

CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NC5CCSCC5)c4)c2C1)CC(C)(C)CC3=O ZINC000169307797

ZINC000169307797 (search)

CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC5(C)COC5)c4)c2C1)CC(C)(C)CC3=O ZINC000169308144

ZINC000169308144 (search)

CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC(C)(C)C)c4)c2C1)CC(C)(C)CC3=O ZINC000169308147

ZINC000169308147 (search)

$C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O ZINC000100014666$

ZINC000100014666 (search)

CN(C)c1cc2c(cc1Sc1nc3c(N)nccc3n1CCNCC(C)(C)C)OCO2 ZINC000072315658

ZINC000072315658 (search)

CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NC5CCCC5)c4)c2C1)CC(C)(C)CC3=O ZINC000169307793

ZINC000169307793 (search)

C#CCCCn1c(Sc2ccc(Cl)c(Cl)c2Cl)nc2c(N)ncnc21 ZINC000299868820

ZINC000299868820 (search)

CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC5CC5)c4)c2C1)CC(C)(C)CC3=O ZINC000169307794

ZINC000169307794 (search)

N#CCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc21 ZINC000299864798

ZINC000299864798 (search)

C#CCCCn1c(C(=O)c2ccc(Cl)cc2Cl)nc2c(N)ncnc21 ZINC000299859201

ZINC000299859201 (search)

CN1CCc2c3c(n(-c4ccc(C(N)=O)c(N[C@H]5CCOC5)c4)c2C1)CC(C)(C)CC3=O ZINC000169307790

ZINC000169307790 (search)

C#CCCCn1c(Sc2cc(Cl)ccc2Cl)nc2c(N)ncnc21 ZINC000013642759

ZINC000013642759 (search)

CCCNc1cc(-n2c3c(c4c2CC(C)(C)CC4=O)CCN(C)C3)ccc1C(N)=O ZINC000169307798

ZINC000169307798 (search)

Nc1nc(Cl)c2cnn(Cc3ccc4c(c3)OCO4)c2n1 ZINC001772586001

ZINC001772586001 (search)

CC(C)NCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)nccc21 ZINC000299859263

ZINC000299859263 (search)

C#CCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc21 ZINC000299869670

ZINC000299869670 (search)

CC(C)NCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc21 ZINC000205190499

ZINC000205190499 (search)

CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC(F)F)c4)c2C1)CC(C)(C)CC3=O ZINC000169307800

ZINC000169307800 (search)

Nc1nc(Cl)c2cc(C(=O)O)n(Cc3ccc4c(c3)OCO4)c2n1 ZINC001772572066

ZINC001772572066 (search)

CN1CCc2c3c(n(-c4cc(F)c(C(N)=O)c(N[C@H]5CCOC5)c4)c2C1)CC(C)(C)CC3=O ZINC000169307789

ZINC000169307789 (search)

COCCNc1cc(-n2c3c(c4c2CC(C)(C)CC4=O)CCN(C)C3)ccc1C(N)=O ZINC000169307795

ZINC000169307795 (search)

N#CCCCn1cnc(N)c2nc(Sc3ccc(Cl)cc3Cl)nc1-2 ZINC000299860838

ZINC000299860838 (search)

C#CCCCn1c(Sc2cc(Cl)nc(Cl)c2)nc2c(N)ncnc21 ZINC000299869196

ZINC000299869196 (search)