Steroid

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4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL C17H22O2 2G44
Table I:
S.No NAME SYS_NAME FORMULA PDB_ID RECEPTOR MOL_WT
1 R18 C19H24O2 1XQ3,1XQ2,1E3G,2ao6 ANDROGEN
2 ZK5 C21H29FO5 1GS4 ANDROGEN
3 17H C21H28O2 2amb ANDROGEN
4 TES C19H28O2 2am9,2q7i,2q7k,2q7j ANDROGEN
5 DHT 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 C17H13N3O3 2ihq ANDROGEN
7 HYQ C20H18N2O4 1xnn ANDROGEN
8 HFT C11H11F3N2O4 2ax6 ANDROGEN
9 8NH C14H12ClN3O3 2nw4 ANDROGEN
10 FHM C17H14F4N2O5 2ax7,2ax8,2axa ANDROGEN
11 BHM C11H10BrF3N2O4 2ax9 ANDROGEN
12 I98 C18H14F4N2O4S 1z95 ANDROGEN
13 CA4 C24H29ClO4 2oz7 ANDROGEN
14 ENM C27H36F2O3 2pnu ANDROGEN
15 LGD C14H9F9N2O 2hvc ANDROGEN
16 B5R C18H13ClF4N2O3 3b5r ANDROGEN
17 3B6 C18H14IN3O3 3b65 ANDROGEN
18 B66 C18H16F3N3O5 3b66 ANDROGEN
19 B67 C17H10F8N2O5 3b67 ANDROGEN
20 B68 C19H18F3N3O6 3b68 ANDROGEN
21 AON C19H32O2 1lhn ANDROGEN
22 AOM 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
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 T3O ESTROGEN
DRQ

(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1- YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL C22H30O2 2G5O

I0G

(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL C18H18O3 2I0J,2I0G

IOG

N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-1H- INDOL-3-YL]ACETAMIDE C33H39N3O3

2IOG IOK

N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE C26H26N2O2 2IOK

C3D

(5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]- 5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL C28H31NO2 2OUZ

EZT

(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL C27H29F3O2 2P15

WST

(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B- HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL C18H18O3 2POG

A48

4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL C26H29BF3NO 2Q6J

DC8

(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)- 1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN- 8-OL C18H16F2O3 2Q70

KN2

4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3- DIOL C13H10N2O3 2QA6

EI1

3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5- OL C15H14N2O2 2QAB

JJ3

(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL C20H22O4 2QE4,2JJ3

EED

(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL C20H28O3 2QGT

EES

3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL C13H9ClN2O2 2QGW

ODE

DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)- 7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE C24H24O7 2QH6

HZ3

dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate C22H18O7 2QR9

1HP

4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin- 6-yl)phenol C13H12O 2QSE

PIQ

2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE C13H12N4 2QXM

LLB

[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien- 3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone C29H29NO4S 2R6W

LLC

[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien- 3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone C27H25NO4S 2R6Y

SAH

S-ADENOSYL-L-HOMOCYSTEINE C14H20N6O5S 3CMB

DES

DIETHYLSTILBESTROL C18H20O2 3ERD

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

E3O

(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE- 3,16,17-TRIOL C18H24O3 2J7Y

MON

4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}- 6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL C24H29ClN6OS 1NDE

272

4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL C13H9NO4 1U3Q

338

2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL 

C17H11NO3

1U3R

797

3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL C17H11NO3 1U3S

397

2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL C14H10O3 1U9E

697 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN- 7-CARBONITRILE C15H9NO3 1X76 ESTROGEN
244 [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE C16H11NO3 1X78 ESTROGEN
41 2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3- BENZOXAZOL-5-OL C15H10FNO3 1X7B ESTROGEN
4NA 1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL C16H11ClO2 1YY4 ESTROGEN
196 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1- NAPHTHONITRILE C17H10FNO2 1YYE ESTROGEN
789 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H- INDEN-1-ONE C15H9BrO3 1ZAF ESTROGEN
FBR (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a- tetrahydro-3H-fluoren-3-one C17H19Br 2GIU ESTROGEN
555 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME C17H13NO2 2NV7 ESTROGEN
DC8 (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL C18H16F2O3 2Z4B ESTROGEN
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