Tacr2

Reference Set (94 Compounds)

COC1(C[S@+]([O-])c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000007999076

ZINC000007999076 (search)

CC(C)C[C@@H]1NC(=O)[C@@H]2CNC(=O)C[C@H](NC(=O)[C@H](C)CNC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 ZINC000049918241

ZINC000049918241 (search)

[O-][S@@+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 ZINC000015722817

ZINC000015722817 (search)

[O-][S@+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 ZINC000003794238

ZINC000003794238 (search)

CC(=O)N(C)C1(c2ccccc2)CCN(CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000003935475

ZINC000003935475 (search)

CC(=O)N[C@H](C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)N1[C@H](C(=O)N(C)Cc2ccccc2)C[C@@H]2CCCC[C@@H]21)[C@@H](C)O ZINC000169332683

ZINC000169332683 (search)

CC(C)C[C@@H]1NC(=O)[C@@H]2CNC(=O)C[C@H](NC(=O)[C@H](CSC[C@@H]3O[C@@H](O)[C@@H](O)[C@H](O)[C@H]3O)CNC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 ZINC000169366666

ZINC000169366666 (search)

CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2 ZINC000095611149

ZINC000095611149 (search)

O=S(=O)(CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccccc1 ZINC000000833170

ZINC000000833170 (search)

Cc1ccccc1OCC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000029571486

ZINC000029571486 (search)

CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O ZINC000029398688

ZINC000029398688 (search)

CC(=O)N[C@H](C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@@H](C)O ZINC000027703873

ZINC000027703873 (search)

CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O ZINC000029400112

ZINC000029400112 (search)

CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O ZINC000169319343

ZINC000169319343 (search)

CC(=O)N[C@H](C(=O)N[C@H](Cc1cc2ccccc2n1C(C)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)c1ccccc1)[C@@H](C)O ZINC000169333181

ZINC000169333181 (search)

CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O ZINC000169319345

ZINC000169319345 (search)

CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(=O)O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O ZINC000163026995

ZINC000163026995 (search)

CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O ZINC000029398701

ZINC000029398701 (search)

CC(=O)N[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@@H](C)O ZINC000003933944

ZINC000003933944 (search)

CC(=O)NC1(c2ccccc2)CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000003927605

ZINC000003927605 (search)

Cc1ccccc1OC[C@@H](O)CNCCc1c[nH]c2ccc(F)cc12 ZINC000029566072

ZINC000029566072 (search)

N#Cc1ccc2[nH]cc(CCN3CCC(NC(=O)c4ccccc4)CC3)c2c1 ZINC000029569811

ZINC000029569811 (search)

CCn1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc21 ZINC000013453008

ZINC000013453008 (search)

Cc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 ZINC000013743422

ZINC000013743422 (search)

O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 ZINC000000600653

ZINC000000600653 (search)

O=C1NC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 ZINC000013743414

ZINC000013743414 (search)

O=C1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccc1 ZINC000013743415

ZINC000013743415 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(C)=O)C(C)C)C1=O)C(N)=O ZINC000169320309

ZINC000169320309 (search)

CC(=O)N(Cc1ccccc1)CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000013743419

ZINC000013743419 (search)

O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1cccc(F)c1 ZINC000013743427

ZINC000013743427 (search)

O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1C(=O)c1ccccc1 ZINC000013743439

ZINC000013743439 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O ZINC000169372142

ZINC000169372142 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C1=O)C(N)=O ZINC000169289394

ZINC000169289394 (search)

O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc(F)cc1 ZINC000013743420

ZINC000013743420 (search)

COc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 ZINC000013743424

ZINC000013743424 (search)

Cc1ccc(S(=O)(=O)N2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 ZINC000013743440

ZINC000013743440 (search)

Fc1ccc2[nH]cc(CCN3CCC4(CC3)CCN(Cc3ccccc3)C4)c2c1 ZINC000013743416

ZINC000013743416 (search)

O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc(F)cc1F ZINC000013743433

ZINC000013743433 (search)

O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1cccc2ccccc12 ZINC000013743432

ZINC000013743432 (search)

O=C1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)NN1Cc1ccccc1 ZINC000013743417

ZINC000013743417 (search)

O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc(Cl)cc1 ZINC000013743423

ZINC000013743423 (search)

O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1CCc1ccccc1 ZINC000013743438

ZINC000013743438 (search)

Cc1ccccc1CN1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O ZINC000013743425

ZINC000013743425 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCN)[C@H]2C1=O)C(N)=O ZINC000095542556

ZINC000095542556 (search)

O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccccn1 ZINC000013743428

ZINC000013743428 (search)

O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccc2ccccc2c1 ZINC000013743431

ZINC000013743431 (search)

C[C@H](c1ccccc1)N1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O ZINC000013743434

ZINC000013743434 (search)

O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1C(c1ccccc1)c1ccccc1 ZINC000013743436

ZINC000013743436 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(N)=O ZINC000169359919

ZINC000169359919 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)[C@@H]2C1=O)C(N)=O ZINC000169365143

ZINC000169365143 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@@H]2CCN(C(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H]2C1=O)C(N)=O ZINC000169318968

ZINC000169318968 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O ZINC000027423400

ZINC000027423400 (search)

COC(=O)c1cccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)c1 ZINC000013743426

ZINC000013743426 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O ZINC000027419768

ZINC000027419768 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(C)C)C(N)=O ZINC000027417567

ZINC000027417567 (search)

OC1(CNCc2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000013743418

ZINC000013743418 (search)

N#Cc1ccc(CN2CC3(CCN(CCc4c[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 ZINC000013743421

ZINC000013743421 (search)

O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1ccncc1 ZINC000013743429

ZINC000013743429 (search)

O=C1NC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)C(=O)N1Cc1ccccc1 ZINC000013743413

ZINC000013743413 (search)

O=C1OC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)CN1Cc1cccnc1 ZINC000013743430

ZINC000013743430 (search)

CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(=O)O ZINC000169365000

ZINC000169365000 (search)

CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCN)[C@@H]2C1=O)C(N)=O ZINC000095611378

ZINC000095611378 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(N)=O ZINC000027419786

ZINC000027419786 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)N1C[C@@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCN)[C@@H]2C1=O)C(N)=O ZINC000095611289

ZINC000095611289 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCN)C1=O)C(N)=O ZINC000095542229

ZINC000095542229 (search)

CN1CC2(CCN(CCc3c[nH]c4ccc(F)cc34)CC2)OC1=O ZINC000013743437

ZINC000013743437 (search)

CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@H]2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCN)[C@H]2C1=O)C(N)=O ZINC000095611235

ZINC000095611235 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)O ZINC000150547467

ZINC000150547467 (search)

CC(=O)OC1(c2ccccc2)CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028010730

ZINC000028010730 (search)

CCN(C[C@@H](CCN1CCC(OC(C)=O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1 ZINC000028090721

ZINC000028090721 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O ZINC000029544493

ZINC000029544493 (search)

CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O ZINC000029545832

ZINC000029545832 (search)

CCOC1(c2ccccc2)CCN(CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028010053

ZINC000028010053 (search)

CN(C[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534572

ZINC000013534572 (search)

CN(C[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccsc1 ZINC000028090633

ZINC000028090633 (search)

CN(C[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1 ZINC000028014517

ZINC000028014517 (search)

CN(C[C@@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc12 ZINC000028090055

ZINC000028090055 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O ZINC000029544336

ZINC000029544336 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O ZINC000029546068

ZINC000029546068 (search)

CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O ZINC000150344795

ZINC000150344795 (search)

CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O ZINC000095608387

ZINC000095608387 (search)

CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O ZINC000096904388

ZINC000096904388 (search)

CC(=O)NCC1(c2ccccc2)CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000028008939

ZINC000028008939 (search)

CN(C[C@@H](CCN1CCC(CO)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000028012728

ZINC000028012728 (search)

CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O ZINC000029545347

ZINC000029545347 (search)

CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O ZINC000096904389

ZINC000096904389 (search)

CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O ZINC000299818423

ZINC000299818423 (search)

CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)N(C)C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O ZINC000299818309

ZINC000299818309 (search)

CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O ZINC000195948833

ZINC000195948833 (search)

CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O ZINC000299820299

ZINC000299820299 (search)

CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@](C)(c3cccc4ccccc34)NC(=O)[C@H](CCC(N)=O)NC1=O)C2=O ZINC000299818321

ZINC000299818321 (search)

CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O ZINC000299818406

ZINC000299818406 (search)

CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C2=O ZINC000299820298

ZINC000299820298 (search)

CSCC[C@@H]1NC(=O)[C@H](CC(C)C)N2C=C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@](C)(c3cccc4ccccc34)NC(=O)CNC1=O)C2=O ZINC000299821185

ZINC000299821185 (search)