CYP2A6

Reference Set (66 Compounds)

NCc1cc2ccccc2s1 ZINC000000064943

ZINC000000064943 (search)

CC[C@@H]1CC[C@H](c2cccnc2)O1 ZINC000036455986

ZINC000036455986 (search)

O=Cc1ccc2occc2c1 ZINC000000158634

ZINC000000158634 (search)

O=Cc1cc2ccncc2s1 ZINC000030677829

ZINC000030677829 (search)

O=Cc1ccc2[nH]ccc2c1 ZINC000002389301

ZINC000002389301 (search)

O=Cc1cc2cnccc2s1 ZINC000039123454

ZINC000039123454 (search)

N[C@H]1C[C@@H]1c1ccccc1 ZINC000000896663

ZINC000000896663 (search)

NCc1csc2ccc(Cl)cc12 ZINC000000165951

ZINC000000165951 (search)

N#Cc1ccc2occc2c1 ZINC000002548356

ZINC000002548356 (search)

O=Cc1cc2ccccc2s1 ZINC000000158704

ZINC000000158704 (search)

NCc1ccc(-c2cccnc2)s1 ZINC000012370797

ZINC000012370797 (search)

NCc1csc2ccc(Br)cc12 ZINC000005177616

ZINC000005177616 (search)

NCc1ccc(-c2cccnc2)o1 ZINC000013607134

ZINC000013607134 (search)

NC[C@H]1CC[C@@H](c2cccnc2)O1 ZINC000142336205

ZINC000142336205 (search)

c1cncc(-n2ccnc2)c1 ZINC000004227998

ZINC000004227998 (search)

BrC[C@H]1CC[C@@H](c2cccnc2)O1 ZINC000034567381

ZINC000034567381 (search)

O=Cc1cc2cccnc2s1 ZINC000011535645

ZINC000011535645 (search)

CNCc1cc2ccccc2s1 ZINC000000064947

ZINC000000064947 (search)

O=Cc1csc2ccc(Br)cc12 ZINC000005177612

ZINC000005177612 (search)

CN(C)Cc1cc2cnccc2s1 ZINC000299829755

ZINC000299829755 (search)

NCC#Cc1cccnc1 ZINC000013607158

ZINC000013607158 (search)

Cc1ccsc1-c1cccnc1 ZINC000013607069

ZINC000013607069 (search)

Cn1ccc2cc(C=O)ccc21 ZINC000005177646

ZINC000005177646 (search)

Cn1cnc(-c2cccnc2)c1 ZINC000014949840

ZINC000014949840 (search)

CNCc1cc2cccnc2s1 ZINC000005177578

ZINC000005177578 (search)

O=Cc1ccc2sccc2c1 ZINC000002547786

ZINC000002547786 (search)

NCc1cc2cnccc2s1 ZINC000082851047

ZINC000082851047 (search)

Cc1cncc(-c2ccsc2)c1 ZINC000013607165

ZINC000013607165 (search)

CNCc1ccc(-c2cccnc2)s1 ZINC000013607141

ZINC000013607141 (search)

Cc1ccsc1-c1ccc(F)nc1 ZINC000013607072

ZINC000013607072 (search)

c1cncc(-c2ccsc2)c1 ZINC000013607083

ZINC000013607083 (search)

c1ccc(Cn2cnc(-c3cccnc3)c2)cc1 ZINC000013607172

ZINC000013607172 (search)

CNCc1cc2cnccc2s1 ZINC000039123427

ZINC000039123427 (search)

O=Cc1ccc2cc[nH]c2c1 ZINC000095470180

ZINC000095470180 (search)

Cc1nccn1-c1cccnc1 ZINC000013607175

ZINC000013607175 (search)

c1cncc(-c2cnc[nH]2)c1 ZINC000013607121

ZINC000013607121 (search)

Cc1ccsc1-c1cncc(-c2sccc2C)c1 ZINC000146943197

ZINC000146943197 (search)

CNCc1ccc(-c2cccnc2)o1 ZINC000013607144

ZINC000013607144 (search)

O=Cc1cc2ccccc2[nH]1 ZINC000004100123

ZINC000004100123 (search)

Cc1cscc1-c1cccnc1 ZINC000013607093

ZINC000013607093 (search)

O=NCc1ccc(-c2cccnc2)s1 ZINC000169718683

ZINC000169718683 (search)

Cn1cccc1-c1cccnc1 ZINC000000899046

ZINC000000899046 (search)

c1cncc(-c2cccs2)c1 ZINC000000334312

ZINC000000334312 (search)

CCn1cnc(-c2cccnc2)c1 ZINC000013607171

ZINC000013607171 (search)

O=Cc1c[nH]c2cc(Br)ccc12 ZINC000002569373

ZINC000002569373 (search)

Cc1ccc2sc(C=O)cc2c1 ZINC000002563896

ZINC000002563896 (search)

Nc1ccc(-c2cccnc2)s1 ZINC000013607168

ZINC000013607168 (search)

c1cncc(-n2cncn2)c1 ZINC000064576414

ZINC000064576414 (search)

O=NCc1ccc(-c2cccnc2)o1 ZINC000169718682

ZINC000169718682 (search)

O=Cc1ccc(-c2cccnc2)s1 ZINC000012370796

ZINC000012370796 (search)

NCc1cc2ccncc2s1 ZINC000082851044

ZINC000082851044 (search)

CNCC#Cc1cccnc1 ZINC000013607159

ZINC000013607159 (search)

N[C@@H]1C[C@@H]1c1cccnc1 ZINC000023927605

ZINC000023927605 (search)

Fc1ccc(-c2ccsc2)cn1 ZINC000013607086

ZINC000013607086 (search)

NC(=S)c1csc2ccncc12 ZINC000299830445

ZINC000299830445 (search)

c1cncc(-c2cccnc2)c1 ZINC000000262514

ZINC000000262514 (search)

Brc1ccc2[nH]ccc2c1 ZINC000000081120

ZINC000000081120 (search)

CCc1ccc(C#N)cc1 ZINC000002565985

ZINC000002565985 (search)

COC(=O)c1cncc(-c2cscc2C)c1 ZINC000146943834

ZINC000146943834 (search)

Cc1ccc(C#N)cc1 ZINC000001696575

ZINC000001696575 (search)

Cn1ccc2ccc(C=O)cc21 ZINC000012370283

ZINC000012370283 (search)

O=Cc1c[nH]c2cccc(Br)c12 ZINC000002563719

ZINC000002563719 (search)

NCc1ccc(-c2cccnc2)cc1 ZINC000008699699

ZINC000008699699 (search)

CC(=O)c1ccc(-c2cccnc2)s1 ZINC000013607079

ZINC000013607079 (search)

Cc1ccsc1-c1cncc(Br)c1 ZINC000013607077

ZINC000013607077 (search)

Cc1ccsc1/C=C/c1cccnc1 ZINC000137250508

ZINC000137250508 (search)