DHFR

Reference Set (133 Compounds)

CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 ZINC000000001233

ZINC000000001233 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(C(F)(F)F)c1 ZINC000000098181

ZINC000000098181 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(Br)cc1 ZINC000000146421

ZINC000000146421 (search)

CCOC(=O)c1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000000203643

ZINC000000203643 (search)

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

ZINC000001529323 (search)

CCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 ZINC000001575021

ZINC000001575021 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(CSc2ccccc2)c1 ZINC000001587054

ZINC000001587054 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1 ZINC000001587055

ZINC000001587055 (search)

CCCCCCCCCc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000001609235

ZINC000001609235 (search)

CCCCCCCCCCCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000001609236

ZINC000001609236 (search)

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)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000001618703

ZINC000001618703 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1 ZINC000001666576

ZINC000001666576 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(Br)c1 ZINC000001666578

ZINC000001666578 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(OCCOc2ccc(N)cc2)cc1 ZINC000001710094

ZINC000001710094 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(N)cc1 ZINC000001716761

ZINC000001716761 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000001724842

ZINC000001724842 (search)

COc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 ZINC000001842830

ZINC000001842830 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(S(C)(=O)=O)cc1 ZINC000001842836

ZINC000001842836 (search)

O=C(Nc1nnc(Sc2nc3cc(Cl)ccc3s2)s1)c1ccc(Cl)c(Cl)c1 ZINC000002146508

ZINC000002146508 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(I)cc1 ZINC000003074278

ZINC000003074278 (search)

Nc1c(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(=O)(=O)O)c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)O)c2ccccc12 ZINC000003830554

ZINC000003830554 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)O)cc1 ZINC000005105411

ZINC000005105411 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(CSc2ccccc2)cc1 ZINC000005138510

ZINC000005138510 (search)

COc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1OC ZINC000005261011

ZINC000005261011 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(O)cc1 ZINC000005835905

ZINC000005835905 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc3ccccc23)c1 ZINC000005835968

ZINC000005835968 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(SCc2ccccc2)c1 ZINC000005835974

ZINC000005835974 (search)

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

ZINC000008627939 (search)

CC(=O)Nc1cccc(OCc2cccc(N3C(=N)NC(=N)NC3(C)C)c2)c1 ZINC000008672818

ZINC000008672818 (search)

Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1 ZINC000013532872

ZINC000013532872 (search)

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

ZINC000013604299 (search)

CCCCOCc1cccc(Cc2cnc(N)nc2N)c1 ZINC000013726711

ZINC000013726711 (search)

Nc1ncc(Cc2cccc(Cl)c2)c(N)n1 ZINC000013726726

ZINC000013726726 (search)

CCCCOc1cccc(Cc2cnc(N)nc2N)c1 ZINC000013726735

ZINC000013726735 (search)

CCCCCCOc1cccc(Cc2cnc(N)nc2N)c1 ZINC000013726744

ZINC000013726744 (search)

Nc1ncc(Cc2ccc(-c3ccccc3)cc2)c(N)n1 ZINC000013726753

ZINC000013726753 (search)

Nc1ncc(Cc2cccc(Br)c2)c(N)n1 ZINC000013726756

ZINC000013726756 (search)

CCc1cc(Cc2cnc(N)nc2N)cc(CC)c1CC ZINC000013726792

ZINC000013726792 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(S(N)(=O)=O)c1 ZINC000013740713

ZINC000013740713 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(C(N)=O)c1 ZINC000013740714

ZINC000013740714 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(O)c1 ZINC000013740715

ZINC000013740715 (search)

CCc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000013740716

ZINC000013740716 (search)

CC(C)(C)c1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000013740717

ZINC000013740717 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc([C@@H](O)c2ccccc2)c1 ZINC000013740718

ZINC000013740718 (search)

CCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000013740720

ZINC000013740720 (search)

CCCCCCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000013740721

ZINC000013740721 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(OCCCCOc2ccccc2)c1 ZINC000013740723

ZINC000013740723 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(OCCCCOc2cccc(C(F)(F)F)c2)c1 ZINC000013740724

ZINC000013740724 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2ccccc2)c1 ZINC000013740725

ZINC000013740725 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(OCC23CC4CC(CC(C4)C2)C3)c1 ZINC000013740726

ZINC000013740726 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(Cl)c2)c1 ZINC000013740727

ZINC000013740727 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(C#N)c2)c1 ZINC000013740728

ZINC000013740728 (search)

COc1cccc(OCc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)c1 ZINC000013740729

ZINC000013740729 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(CO)c2)c1 ZINC000013740730

ZINC000013740730 (search)

Cc1cccc(OCc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)c1 ZINC000013740731

ZINC000013740731 (search)

CCc1cccc(OCc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)c1 ZINC000013740732

ZINC000013740732 (search)

CC(C)c1cccc(OCc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)c1 ZINC000013740733

ZINC000013740733 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(-c3ccccc3)c2)c1 ZINC000013740734

ZINC000013740734 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=O)c2)c1 ZINC000013740735

ZINC000013740735 (search)

CCCCCc1ccc(OCc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)cc1 ZINC000013740736

ZINC000013740736 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(SCc2ccc(Cl)cc2)c1 ZINC000013740737

ZINC000013740737 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(CNc2cc(C(N)=O)cc(C(N)=O)c2)c1 ZINC000013740739

ZINC000013740739 (search)

CCCCCCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 ZINC000013740742

ZINC000013740742 (search)

Nc1ncc(Cc2ccccc2I)c(N)n1 ZINC000013781587

ZINC000013781587 (search)

CCCCOc1ccccc1Cc1cnc(N)nc1N ZINC000013781596

ZINC000013781596 (search)

CCCCCCOc1ccccc1Cc1cnc(N)nc1N ZINC000013781597

ZINC000013781597 (search)

Nc1ncc(Cc2ccccc2OCc2ccccc2)c(N)n1 ZINC000013781598

ZINC000013781598 (search)

CC1(C)N=C(N)N=C(N)N1c1ccccc1 ZINC000016981849

ZINC000016981849 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc([N+](=O)[O-])c1 ZINC000017005686

ZINC000017005686 (search)

Cc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000017025533

ZINC000017025533 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(C(F)(F)F)cc1 ZINC000017039530

ZINC000017039530 (search)

COc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000017039688

ZINC000017039688 (search)

CCCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 ZINC000017039700

ZINC000017039700 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(OCCOc2ccccc2)c1 ZINC000017039703

ZINC000017039703 (search)

Cc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 ZINC000017040529

ZINC000017040529 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(F)cc1 ZINC000017126763

ZINC000017126763 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(C#N)c1 ZINC000017428337

ZINC000017428337 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000025967336

ZINC000025967336 (search)

CC(C)(C)c1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 ZINC000025967439

ZINC000025967439 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(F)c1 ZINC000025968013

ZINC000025968013 (search)

CC(=O)c1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000025968625

ZINC000025968625 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(I)c1 ZINC000025968641

ZINC000025968641 (search)

CC(=O)c1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 ZINC000025968981

ZINC000025968981 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000025969960

ZINC000025969960 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)cc1 ZINC000025969983

ZINC000025969983 (search)

CCCCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000025970820

ZINC000025970820 (search)

CC[C@@H](CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000026002850

ZINC000026002850 (search)

CC[C@H](C[C@@H]1CNc2nc(N)nc(N)c2N1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 ZINC000026005518

ZINC000026005518 (search)

CCCN1C=CC(C)=C2C(=O)N[C@@H](N)N=C21 ZINC000027421533

ZINC000027421533 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)cc1 ZINC000027526936

ZINC000027526936 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCNC(=O)OCc2ccccc2)C(=O)O)cc1 ZINC000027547784

ZINC000027547784 (search)

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCCNC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)cc1 ZINC000027548143

ZINC000027548143 (search)

CCCCCCc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000029209173

ZINC000029209173 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(SCc2ccccc2)cc1 ZINC000029216002

ZINC000029216002 (search)

Cc1cccc(SCc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)c1 ZINC000029216055

ZINC000029216055 (search)

Cc1ccccc1SCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 ZINC000029216088

ZINC000029216088 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(CSc2ccccc2)c(Cl)c1 ZINC000029216331

ZINC000029216331 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(COc2ccccc2)c1 ZINC000029216453

ZINC000029216453 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(CSc2ccccc2)c1 ZINC000029216866

ZINC000029216866 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(C#Cc2ccccc2)cc1 ZINC000029217301

ZINC000029217301 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(SCc2ccc(Cl)cc2)cc1 ZINC000029217451

ZINC000029217451 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(COC2CCCCC2)c1 ZINC000029217569

ZINC000029217569 (search)

CC1(C)N=C(N)N=C(N)N1c1cc(Cl)cc(Cl)c1 ZINC000029217677

ZINC000029217677 (search)

Cc1cccc(SCc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)c1 ZINC000029217688

ZINC000029217688 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc2c(c1)CCCC2 ZINC000029217711

ZINC000029217711 (search)

CC(C)(C)c1cccc(OCc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)c1 ZINC000029218138

ZINC000029218138 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(COc2ccc3ccccc3c2)c1 ZINC000029218398

ZINC000029218398 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(=N)S)c2)c1 ZINC000029218454

ZINC000029218454 (search)

CCCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000029218525

ZINC000029218525 (search)

Cc1cccc(OCCOc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)c1 ZINC000029218584

ZINC000029218584 (search)

CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2ccc(C(N)=O)cc2)c1 ZINC000029218659

ZINC000029218659 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000029218664

ZINC000029218664 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(CO)cc2)cc1 ZINC000029219116

ZINC000029219116 (search)

CCCCCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000029219121

ZINC000029219121 (search)

CN(C)C(=O)c1ccc(COc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2Cl)cc1 ZINC000029219188

ZINC000029219188 (search)

CCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1N ZINC000029219414

ZINC000029219414 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(SCc2ccccc2)c(Cl)c1 ZINC000029219610

ZINC000029219610 (search)

C#Cc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 ZINC000029219695

ZINC000029219695 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccc(C(N)=O)cc2)cc1 ZINC000029221640

ZINC000029221640 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000029221757

ZINC000029221757 (search)

COc1cc(Cc2cnc(N)nc2N)cc2c1NC(C)(C)C=C2C ZINC000029565798

ZINC000029565798 (search)

CCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1 ZINC000034801948

ZINC000034801948 (search)

CCCCCCCCCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000043409526

ZINC000043409526 (search)

CCCCCCCCCCCCc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000043504171

ZINC000043504171 (search)

CCCCCCCCCCCCCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000043599167

ZINC000043599167 (search)

CCCCCCCCCCCCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000043676620

ZINC000043676620 (search)

CCCCCCCCCCCCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 ZINC000043706067

ZINC000043706067 (search)

CCCCCCCCCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1Cl ZINC000043706221

ZINC000043706221 (search)

CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1 ZINC000043706278

ZINC000043706278 (search)

CCCCCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 ZINC000043706317

ZINC000043706317 (search)

CCCCCCCCCCCOc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 ZINC000043706435

ZINC000043706435 (search)

CCCCCCCCCCCCCCOc1cccc(N2C(N)=NC(N)=NC2(C)C)c1 ZINC000044157093

ZINC000044157093 (search)