Steroid

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|2Z4B
|2Z4B
|ESTROGEN
|ESTROGEN
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|84
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|47
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|1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE
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|C23H28N2
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|2PJL
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|ESTROGEN-RELATED
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|-
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|85
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|DES
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|DIETHYLSTILBESTROL
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|C18H20O2
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|1S9P
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|ESTROGEN-RELATED
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|-
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|86
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|OHT
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|4-HYDROXYTAMOXIFEN
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|C26H29NO2
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|1X9Q,1VJB,1GPU
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|2OH
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|ESTROGEN-RELATED
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|-
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|87
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|4,4'-PROPANE-2,2-DIYLDIPHENOL
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|C15H16O2
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|2E2R,2P7G,2P7Z
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|TXF
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|ESTROGEN-RELATED
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|-
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|88
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|(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
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|C27H31NO3
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|2EWP
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|ESTROGEN-RELATED
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|-
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|89
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|1BA
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|4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE
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|C17H20N2O2
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|1GPP
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|ESTROGEN-RELATED
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|-
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|90
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|43M
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|4-CHLORO-3-METHYLPHENOL
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|C7H7ClO
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|2P7A
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|ESTROGEN-RELATED
|-
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Revision as of 06:53, 18 October 2008

Table I:
S.No IDENTIFIER NAME FORMULA PDB_ID RECEPTOR
1 R18 (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11- TRIEN-3-ONE C19H24O2 1XQ3,1XQ2,1E3G,2ao6 ANDROGEN
2 ZK5 9ALPHA-FLUOROCORTISOL C21H29FO5 1GS4 ANDROGEN
3 17H 17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-PREGNA- 4,9,11-TRIEN-3-ONE C21H28O2 2amb ANDROGEN
4 TES TESTOSTERONE C19H28O2 2am9,2q7i,2q7k,2q7j ANDROGEN
5 DHT 5-ALPHA-DIHYDROTESTOSTERONE C19H30O2 2ama,1i37,1i38,1t5z,1t63,1t65,1t73,1t74,1t75,1t76,1t79,1t7f,1t7m,1t7r,1t7t,1xj7,2piv,2piw,2pkl,2qpy,2z4j,2pio,2pip,2piq,2pir,2pit,2piu,2pix,1d2s ANDROGEN
6 LG7 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE C17H13N3O3 2ihq ANDROGEN
7 HYQ REL-(3AR,4S,7R,7AS)-3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE C20H18N2O4 1xnn ANDROGEN
8 HFT HYDROXYFLUTAMIDE C11H11F3N2O4 2ax6 ANDROGEN
9 8NH 2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE C14H12ClN3O3 2nw4 ANDROGEN
10 FHM S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE C17H14F4N2O5 2ax7,2ax8,2axa ANDROGEN
11 BHM (R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE C11H10BrF3N2O4 2ax9 ANDROGEN
12 I98 R-BICALUTAMIDE C18H14F4N2O4S 1z95 ANDROGEN
13 CA4 CYPROTERONE ACETATE C24H29ClO4 2oz7 ANDROGEN
14 ENM (5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE C27H36F2O3 2pnu ANDROGEN
15 LGD 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE C14H9F9N2O 2hvc ANDROGEN
16 B5R (2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano- 3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide C18H13ClF4N2O3 3b5r ANDROGEN
17 3B6 (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)- 2-hydroxy-2-methylpropanamide C18H14IN3O3 3b65 ANDROGEN
18 B66 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile C18H16F3N3O5 3b66 ANDROGEN
19 B67 (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide C17H10F8N2O5 3b67 ANDROGEN
20 B68 (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide C19H18F3N3O6 3b68 ANDROGEN
21 AON 5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL C19H32O2 1lhn ANDROGEN
22 AOM 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL C19H32O2 1lho ANDROGEN
23 EST ESTRADIOL C18H24O2 1A52,1ERE,1G50,1GWR,1PCG,1QKT,1QKU,2OCF,2J7X ESTROGEN
24 RAL RALOXIFENE C28H27NO4S 1ERR,2JFA,1QK ESTROGEN
25 ZTW RALOXIFENE CORE C14H10O2S 1GWQ ESTROGEN
26 ETC (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE- 2,8-DIOL C22H24O2 1L2I,1L2J ESTROGEN
27 GW5 (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-1-ENYL]PHENYL}ACRYLIC ACID C25H22O2 1R5K ESTROGEN
28 E4D (2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-6-OL C27H29NO4S 1SJ0 ESTROGEN
29 PTI 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL C28H32N2O2 1UOM ESTROGEN
30 244 [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN- 7-YL]ACETONITRILE C16H11NO3 1X7E ESTROGEN
31 GEN GENISTEIN C15H10O5 1X7R,2QA8,1QKM,1X7J ESTROGEN
32 AIH (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL C28H31NO4S 1XP1 ESTROGEN
33 AIU (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN- 1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL C28H31NO4S 1XP6 ESTROGEN
34 AIJ (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL C27H29NO4S 1XP9 ESTROGEN
35 AIT (2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL C27H29NO4S 1XPC ESTROGEN
36 AEJ (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL C29H33N3O 1XQC ESTROGEN
37 CM4 (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1YLETHOXY)PHENYL]CHROMAN-6-OL C28H31NO4 1YIM ESTROGEN
38 CM3 (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL C29H32FNO4 1YIN ESTROGEN
39 689 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL C18H24O3 1ZKY ESTROGEN
40 L4G 6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-PIPERIDIN- 1-YLETHOXY)PHENOXY]NAPHTHALEN-2-OL C30H31NO5S 2AYR ESTROGEN
41 458 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL- 3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL C16H20O3 2BIV ESTROGEN
42 17M 17-METHYL-17-ALPHA-DIHYDROEQUILENIN C19H22O2 2B1Z ESTROGEN
43 OHT 4-HYDROXYTAMOXIFEN C26H29NO2 2BJ4,2JF9,3ERT,2FSZ ESTROGEN
44 459 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL- 3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL C17H24O3 2FAI ESTROGEN
45 T3O 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL C17H22O2 2G44 ESTROGEN
46 DRQ (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1- YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL C22H30O2 2G5O ESTROGEN
47 I0G (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL C18H18O3 2I0J,2I0G ESTROGEN
48 IOG N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-1H- INDOL-3-YL]ACETAMIDE C33H39N3O3 2IOG ESTROGEN
49 IOK N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE C26H26N2O2 2IOK ESTROGEN
50 C3D (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]- 5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL C28H31NO2 2OUZ ESTROGEN
51 EZT (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL C27H29F3O2 2P15 ESTROGEN
52 WST (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL C18H18O3 2POG ESTROGEN
53 A48 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL C26H29BF3NO 2Q6J ESTROGEN
54 DC8 (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL C18H16F2O3 2Q70 ESTROGEN
55 KN2 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3- DIOL C13H10N2O3 2QA6 ESTROGEN
56 EI1 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5- OL C15H14N2O2 2QAB ESTROGEN
57 JJ3 (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL C20H22O4 2QE4,2JJ3 ESTROGEN
58 EED (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL C20H28O3 2QGT ESTROGEN
59 EES 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL C13H9ClN2O2 2QGW ESTROGEN
60 ODE DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)- 7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE C24H24O7 2QH6 ESTROGEN
61 HZ3 dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate C22H18O7 2QR9 ESTROGEN
62 1HP 4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin- 6-yl)phenol C13H12O 2QSE ESTROGEN
63 PIQ 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE C13H12N4 2QXM ESTROGEN
64 LLB [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien- 3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone C29H29NO4S 2R6W ESTROGEN
64 LLC [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien- 3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone C27H25NO4S 2R6Y ESTROGEN
66 SAH S-ADENOSYL-L-HOMOCYSTEINE C14H20N6O5S 3CMB ESTROGEN
67 DES DIETHYLSTILBESTROL C18H20O2 3ERD ESTROGEN
68 AOE N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-7-YL]-N-METHYLUNDECANAMIDE C34H55NO3 1HJ1 ESTROGEN
69 E3O (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE- 3,16,17-TRIOL C18H24O3 2J7Y ESTROGEN
70 MON 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}- 6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL C24H29ClN6OS 1NDE ESTROGEN
71 272 4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL C13H9NO4 1U3Q ESTROGEN
72 338 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL C17H11NO3 1U3R ESTROGEN
73 797 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL C17H11NO3 1U3S ESTROGEN
74 397 2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL C14H10O3 1U9E ESTROGEN
75 697 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN- 7-CARBONITRILE C15H9NO3 1X76 ESTROGEN
76 244 [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE C16H11NO3 1X78 ESTROGEN
77 41 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3- BENZOXAZOL-5-OL C15H10FNO3 1X7B ESTROGEN
78 4NA 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL C16H11ClO2 1YY4 ESTROGEN
79 196 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1- NAPHTHONITRILE C17H10FNO2 1YYE ESTROGEN
80 789 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H- INDEN-1-ONE C15H9BrO3 1ZAF ESTROGEN
81 FBR (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a- tetrahydro-3H-fluoren-3-one C17H19Br 2GIU ESTROGEN
82 555 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME C17H13NO2 2NV7 ESTROGEN
83 DC8 (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL C18H16F2O3 2Z4B ESTROGEN
84 47 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE C23H28N2 2PJL ESTROGEN-RELATED
85 DES DIETHYLSTILBESTROL C18H20O2 1S9P ESTROGEN-RELATED
86 OHT 4-HYDROXYTAMOXIFEN C26H29NO2 1X9Q,1VJB,1GPU 2OH ESTROGEN-RELATED
87 4,4'-PROPANE-2,2-DIYLDIPHENOL C15H16O2 2E2R,2P7G,2P7Z TXF ESTROGEN-RELATED
88 (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL C27H31NO3 2EWP ESTROGEN-RELATED
89 1BA 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE C17H20N2O2 1GPP ESTROGEN-RELATED
90 43M 4-CHLORO-3-METHYLPHENOL C7H7ClO 2P7A ESTROGEN-RELATED