pknB

Reference Set (70 Compounds)

CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21 ZINC000034285211

ZINC000034285211 (search)

$COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000100014909$

ZINC000100014909 (search)

COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC ZINC000006745792

ZINC000006745792 (search)

C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O ZINC000003781738

ZINC000003781738 (search)

$CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C ZINC000003964325$

ZINC000003964325 (search)

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 ZINC000003814434

ZINC000003814434 (search)

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000019862646

ZINC000019862646 (search)

CN(C)CC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1 ZINC000038226716

ZINC000038226716 (search)

O=C(c1ccc(/C=C/c2n[nH]c3ccccc23)cc1)N1CCNCC1 ZINC000043201999

ZINC000043201999 (search)

CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 ZINC000003816310

ZINC000003816310 (search)

$Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 ZINC000018825344$

ZINC000018825344 (search)

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000055760827

ZINC000055760827 (search)

C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12 ZINC000003818808

ZINC000003818808 (search)

Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1 ZINC000003820040

ZINC000003820040 (search)

Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1 ZINC000001554390

ZINC000001554390 (search)

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21 ZINC000036056301

ZINC000036056301 (search)

N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1 ZINC000043207851

ZINC000043207851 (search)

COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl ZINC000022448983

ZINC000022448983 (search)

NS(=O)(=O)c1ccc(-c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)s1 ZINC000115371196

ZINC000115371196 (search)

NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1 ZINC000115370993

ZINC000115370993 (search)

Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1 ZINC000115372315

ZINC000115372315 (search)

NS(=O)(=O)c1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)s1 ZINC000115373563

ZINC000115373563 (search)

NS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)cc1 ZINC000200106598

ZINC000200106598 (search)

NS(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1 ZINC000198825871

ZINC000198825871 (search)

CN1CCC(CNc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3cccc(C#N)c3)n2)CC1 ZINC000084619480

ZINC000084619480 (search)

CN(C)CCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2cccc(C#N)c2)n1 ZINC000084619478

ZINC000084619478 (search)

CN(C)[C@@H]1CCN(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(-c3cccc(C#N)c3)n2)C1 ZINC000084587425

ZINC000084587425 (search)

CN1CCC(CNc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3cccc(S(C)(=O)=O)c3)n2)CC1 ZINC000084620013

ZINC000084620013 (search)

CN(C)[C@@H]1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)C1 ZINC000084596332

ZINC000084596332 (search)

CN1CCC(CNc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1 ZINC000084635825

ZINC000084635825 (search)

c1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN3CCCC3)n2)cc1 ZINC000084596334

ZINC000084596334 (search)

CN(C)[C@@H]1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3cccc(C#N)c3)n2)C1 ZINC000084596489

ZINC000084596489 (search)

Clc1ccccc1CCNc1nccc(Nc2cc(C3CC3)[nH]n2)n1 ZINC000084633258

ZINC000084633258 (search)

CN1CCC(Nc2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1 ZINC000084635828

ZINC000084635828 (search)

Fc1cccc(CCNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1 ZINC000084634529

ZINC000084634529 (search)

c1cc(Nc2cc(C3CC3)[nH]n2)nc(NC2CCCCC2)n1 ZINC000084634525

ZINC000084634525 (search)

CS(=O)(=O)c1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1 ZINC000084634454

ZINC000084634454 (search)

N#Cc1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1 ZINC000084634519

ZINC000084634519 (search)

CN(C)CCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(-c2ccccc2)n1 ZINC000084635823

ZINC000084635823 (search)

c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(NC3CCCCC3)nc2c1 ZINC000084596963

ZINC000084596963 (search)

c1cc(Nc2cc(C3CC3)[nH]n2)nc(NC2CCCC2)n1 ZINC000084635821

ZINC000084635821 (search)

CN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3ccccc3)n2)CC1 ZINC000084635824

ZINC000084635824 (search)

CN(C)[C@@H]1CCN(c2cc(Nc3cc(Cl)ccn3)nc(-c3ccccc3)n2)C1 ZINC000084619252

ZINC000084619252 (search)

c1cncc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1 ZINC000084596543

ZINC000084596543 (search)

c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCC2CC2)n1 ZINC000084635462

ZINC000084635462 (search)

Fc1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1 ZINC000084596962

ZINC000084596962 (search)

CS(=O)(=O)NCc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1 ZINC000084634104

ZINC000084634104 (search)

c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(-c3ccncc3)nc2c1 ZINC000084587141

ZINC000084587141 (search)

CC(C)CCNc1nccc(Nc2cc(C3CC3)[nH]n2)n1 ZINC000084634527

ZINC000084634527 (search)

Fc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1 ZINC000084618317

ZINC000084618317 (search)

NC(=O)c1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1 ZINC000084596964

ZINC000084596964 (search)

CS(=O)(=O)Nc1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1 ZINC000084636066

ZINC000084636066 (search)

c1ccc2c(Nc3cc(C4CC4)[nH]n3)nc(NCC3CC3)nc2c1 ZINC000084617242

ZINC000084617242 (search)

c1ccc(-c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1 ZINC000038441613

ZINC000038441613 (search)

Fc1ccc(-c2nc(Nc3cc[nH]n3)c3ccccc3n2)cc1 ZINC000084587144

ZINC000084587144 (search)

c1ccc(CNc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1 ZINC000084587414

ZINC000084587414 (search)

COc1ccnc(Nc2cc(N3CC[C@@H](N(C)C)C3)nc(-c3ccccc3)n2)c1 ZINC000084617825

ZINC000084617825 (search)

Cc1cc(Nc2nc(-c3ccc(F)cc3)nc3ccccc23)n[nH]1 ZINC000084596817

ZINC000084596817 (search)

Cc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)n[nH]1 ZINC000034019276

ZINC000034019276 (search)

CN(C)[C@@H]1CCN(c2cc(Nc3ccccn3)nc(-c3cccc(C#N)c3)n2)C1 ZINC000084617823

ZINC000084617823 (search)

NNC(=O)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000032579486

ZINC000032579486 (search)

NNC(=O)CC(=O)Nc1ccc(C(=O)O)cc1 ZINC000001646836

ZINC000001646836 (search)

COc1ccc(NC(=O)CC(=O)NN)c(OC)c1 ZINC000299822298

ZINC000299822298 (search)

NNC(=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000299825419

ZINC000299825419 (search)

COc1ccc(OC)c(NC(=O)CC(=O)NN)c1 ZINC000299827894

ZINC000299827894 (search)

NNC(=O)CC(=O)Nc1ccccc1C(=O)O ZINC000196748937

ZINC000196748937 (search)

NNC(=O)CC(=O)Nc1ccc(S(=O)(=O)O)cc1 ZINC000299822556

ZINC000299822556 (search)

NNC(=O)CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000299830403

ZINC000299830403 (search)

CCCc1ccc(NC(=O)CC(=O)NN)cc1 ZINC000299828904

ZINC000299828904 (search)

NNC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000032579325

ZINC000032579325 (search)