Dhfr

Reference Set (104 Compounds)

CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000001618702

ZINC000001618702 (search)

CC[C@@H](Cc1cnc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000013448331

ZINC000013448331 (search)

Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c4c3CCCC4)cnc2n1 ZINC000013732289

ZINC000013732289 (search)

Nc1nc(N)c2c3c(cnc2n1)C[C@H](c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CC3 ZINC000013448336

ZINC000013448336 (search)

C#CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000001536109

ZINC000001536109 (search)

Cc1c(CCc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)cnc2nc(N)nc(N)c12 ZINC000026275189

ZINC000026275189 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc1 ZINC000013526360

ZINC000013526360 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccccc4C(=O)O)C(=O)O)cc3)cnc2n1 ZINC000003807186

ZINC000003807186 (search)

COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC ZINC000000598852

ZINC000000598852 (search)

C#CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1 ZINC000001576152

ZINC000001576152 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1 ZINC000002036915

ZINC000002036915 (search)

Nc1nc2c(c(=O)[nH]1)[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CC2 ZINC000013736739

ZINC000013736739 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000001529323

ZINC000001529323 (search)

Nc1nc(N)c2c(n1)CC[C@H]2CCCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000003789075

ZINC000003789075 (search)

C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000008655373

ZINC000008655373 (search)

CCCCCCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000036175829

ZINC000036175829 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCCCCC(=O)O)C(=O)O)cc1 ZINC000028764869

ZINC000028764869 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCCCCCCCCC(=O)O)C(=O)O)cc1 ZINC000028765601

ZINC000028765601 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCCCCCCC(=O)O)C(=O)O)cc1 ZINC000028763317

ZINC000028763317 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)Nc2ccc(O)c(O)c2)C(=O)O)cc1 ZINC000029412538

ZINC000029412538 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCCCCCC(=O)O)C(=O)O)cc1 ZINC000028764873

ZINC000028764873 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCCNC(=O)CCl)C(=O)O)cc1 ZINC000029243604

ZINC000029243604 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCNC(=O)CCl)C(=O)O)cc1 ZINC000029248484

ZINC000029248484 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCCCCCCCC(=O)O)C(=O)O)cc1 ZINC000028764877

ZINC000028764877 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N(CCC(=O)O)CC(=O)O)cc1 ZINC000027866686

ZINC000027866686 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)Nc2ccc3c(c2)OCO3)C(=O)O)cc1 ZINC000029405992

ZINC000029405992 (search)

CC(C)(C)NC(=O)CC[C@@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O ZINC000029404162

ZINC000029404162 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)Nc4ccc5c(c4)OCO5)C(=O)O)cc3)cnc2n1 ZINC000029411170

ZINC000029411170 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCNC(=O)CBr)C(=O)O)cc1 ZINC000029243754

ZINC000029243754 (search)

Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)ccc2n1 ZINC000001607421

ZINC000001607421 (search)

CN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1 ZINC000001702724

ZINC000001702724 (search)

CN(Cc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)c1ccc2nc(N)nc(N)c2c1 ZINC000026189963

ZINC000026189963 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)Nc4ccc(O)c(O)c4)C(=O)O)cc3)cnc2n1 ZINC000029412545

ZINC000029412545 (search)

Nc1nc2c(c(=O)[nH]1)[C@@H](CCCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CC2 ZINC000013736735

ZINC000013736735 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)Nc4ccccc4)C(=O)O)cc3)cnc2n1 ZINC000029413485

ZINC000029413485 (search)

Nc1nc(N)c2cc(NCc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)ccc2n1 ZINC000001565330

ZINC000001565330 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCP(=O)(O)O)C(=O)O)cc3)cnc2n1 ZINC000028764057

ZINC000028764057 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCCCN)C(=O)O)cc1 ZINC000008627939

ZINC000008627939 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCCP(=O)(O)O)C(=O)O)cc3)cnc2n1 ZINC000028762795

ZINC000028762795 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCCCCCCCCC(=O)O)C(=O)O)cc3)cnc2n1 ZINC000028763810

ZINC000028763810 (search)

Nc1nc(N)c2cc(CN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)ccc2n1 ZINC000001565332

ZINC000001565332 (search)

Nc1nc(N)c2cc(N(C=O)Cc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)ccc2n1 ZINC000026269919

ZINC000026269919 (search)

Nc1nc(N)c2c(n1)CC[C@@H]2CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000001535479

ZINC000001535479 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCCNC(=O)CBr)C(=O)O)cc1 ZINC000029249222

ZINC000029249222 (search)

NCCC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O ZINC000013525138

ZINC000013525138 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCc4c(Cl)cccc4Cl)C(=O)O)cc3)cnc2n1 ZINC000029411176

ZINC000029411176 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCCCCCCCC(=O)O)C(=O)O)cc3)cnc2n1 ZINC000028765579

ZINC000028765579 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000029550504

ZINC000029550504 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCP(=O)(O)O)C(=O)O)cc3)cnc2n1 ZINC000028762511

ZINC000028762511 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)cc1 ZINC000027997486

ZINC000027997486 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCc4ccccc4)C(=O)O)cc3)cnc2n1 ZINC000029412285

ZINC000029412285 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)cc1 ZINC000027997472

ZINC000027997472 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NCCCC(=O)NCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000029553190

ZINC000029553190 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NC45CC6CC(CC(C6)C4)C5)C(=O)O)cc3)cnc2n1 ZINC000029413801

ZINC000029413801 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCN)C(=O)O)cc1 ZINC000025972106

ZINC000025972106 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCc4ccc(Cl)c(Cl)c4)C(=O)O)cc3)cnc2n1 ZINC000029405658

ZINC000029405658 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)cc1 ZINC000095543734

ZINC000095543734 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCN)C(=O)O)cc1 ZINC000013604299

ZINC000013604299 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CN)C(=O)O)cc1 ZINC000025974388

ZINC000025974388 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000029545267

ZINC000029545267 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](Cc2cn(CC(=O)O)cn2)C(=O)O)cc1 ZINC000013604557

ZINC000013604557 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCCCCC(=O)O)C(=O)O)cc3)cnc2n1 ZINC000028763807

ZINC000028763807 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000095616174

ZINC000095616174 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CP(=O)(O)O)C(=O)O)cc3)cnc2n1 ZINC000028763242

ZINC000028763242 (search)

Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1 ZINC000001540998

ZINC000001540998 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)NCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000169361667

ZINC000169361667 (search)

Nc1nc(N)c2nc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1 ZINC000001570371

ZINC000001570371 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)cc1 ZINC000013604555

ZINC000013604555 (search)

C[C@H](Cc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)c1cnc2nc(N)nc(N)c2n1 ZINC000003924393

ZINC000003924393 (search)

C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1c(Cl)cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1Cl ZINC000027524829

ZINC000027524829 (search)

C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1Cl ZINC000027525751

ZINC000027525751 (search)

CC[C@@H](Cc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)c1cnc2nc(N)nc(N)c2n1 ZINC000026258443

ZINC000026258443 (search)

COc1ccccc1[C@H](Cc1coc2nc(N)nc(N)c12)C(C)C ZINC000045352554

ZINC000045352554 (search)

COc1ccccc1[C@@H](Cc1coc2nc(N)nc(N)c12)C1CC1 ZINC000045391895

ZINC000045391895 (search)

COc1ccccc1/C(C)=C\c1coc2nc(N)nc(N)c12 ZINC000038247831

ZINC000038247831 (search)

COc1ccccc1/C(=C\c1coc2nc(N)nc(N)c12)C(C)C ZINC000045351790

ZINC000045351790 (search)

CC[C@@H](C)/C(=C/c1coc2nc(N)nc(N)c12)c1ccccc1OC ZINC000045388034

ZINC000045388034 (search)

COc1ccccc1/C(=C\c1coc2nc(N)nc(N)c12)C1CC1 ZINC000045347910

ZINC000045347910 (search)

CCC/C(=C/c1coc2nc(N)nc(N)c12)c1ccccc1OC ZINC000045352478

ZINC000045352478 (search)

COc1ccccc1/C(C)=C/c1coc2nc(N)nc(N)c12 ZINC000034074108

ZINC000034074108 (search)

COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC ZINC000006627681

ZINC000006627681 (search)

CCCC/C(=C/c1coc2nc(N)nc(N)c12)c1ccccc1OC ZINC000045392109

ZINC000045392109 (search)

COc1ccccc1[C@H](Cc1coc2nc(N)nc(N)c12)CC(C)C ZINC000045386102

ZINC000045386102 (search)

CC[C@@H](C)[C@@H](Cc1coc2nc(N)nc(N)c12)c1ccccc1OC ZINC000045350893

ZINC000045350893 (search)

COc1ccccc1/C(=C\c1coc2nc(N)nc(N)c12)CC(C)C ZINC000045348774

ZINC000045348774 (search)

CCC[C@@H](Cc1coc2nc(N)nc(N)c12)c1ccccc1OC ZINC000045386588

ZINC000045386588 (search)

CCCC[C@@H](Cc1coc2nc(N)nc(N)c12)c1ccccc1OC ZINC000045349012

ZINC000045349012 (search)

CCOC(=O)[C@@H](CNC(=O)N(CCCl)N=O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1 ZINC000025979554

ZINC000025979554 (search)

CCOC(=O)[C@@H](CNC(=O)N(C)N=O)NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1 ZINC000025979572

ZINC000025979572 (search)

CNC(=O)NC[C@@H](NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O ZINC000001574861

ZINC000001574861 (search)

Nc1nc(N)c2nc(CN(C=O)c3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccc(Cl)cc4)C(=O)O)cc3)cnc2n1 ZINC000028763300

ZINC000028763300 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccccc4)C(=O)O)cc3)cnc2n1 ZINC000003807189

ZINC000003807189 (search)

CC(=O)NCCC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O ZINC000001532989

ZINC000001532989 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccc(Cl)cc4)C(=O)O)cc3)cnc2n1 ZINC000003913967

ZINC000003913967 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCNC(=O)CCC(=O)O)C(=O)O)cc3)cnc2n1 ZINC000003807188

ZINC000003807188 (search)

Nc1nc(N)c2nc(CN(C=O)c3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccccc4)C(=O)O)cc3)cnc2n1 ZINC000028762801

ZINC000028762801 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CNC(N)=O)C(=O)O)cc1 ZINC000001573239

ZINC000001573239 (search)

Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccc(Cl)c(Cl)c4)C(=O)O)cc3)cnc2n1 ZINC000003913968

ZINC000003913968 (search)

CC(=O)NCCC[C@@H](NC(=O)c1ccc(N(C=O)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O ZINC000028763428

ZINC000028763428 (search)

Nc1nc(N)c2nc(CN(C=O)c3ccc(C(=O)N[C@@H](CCCNC(=O)c4ccc(Cl)c(Cl)c4)C(=O)O)cc3)cnc2n1 ZINC000028764093

ZINC000028764093 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000005385826

ZINC000005385826 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)cc1 ZINC000005386048

ZINC000005386048 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)cc1 ZINC000005385829

ZINC000005385829 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(N)=O)cc1 ZINC000001563941

ZINC000001563941 (search)