Nuclear receptor ligands in the PDB.
This table is created and maintained by Simon Folkertsma (mailto:simon@cmbi.nl).
The table contains the ligands which are found in the nuclear receptor ligand binding domains of the PDB (www.rcsb.org).
Ligand information is retrieved from PDBsum and MSD Ligand Chemistry.
Last update, July 2002.
|
Compound name |
Formula |
Structure |
PDB files |
|
Estradiol |
C18H24O2 |
|
1A52, 1ERE, 1QKU, 1QKT, 1G50, 1AKF, 1GWR |
|
Raloxifene |
C28H27NO4S |
|
1ERR, 1QKN
|
|
Raloxifene core |
C14H10O2S |
No image available yet |
1GWQ |
|
Diethylstilbestrol |
C18H20O2 |
|
3ERD |
|
4-hydroxytamoxifen |
C26H29NO2 |
|
3ERT |
Genistein
(5,7-dihydroxy-3-(4-hydroxyfenyl)-4H-1-benzopyran-4-one;
4',5,7-trihydroxyisoflavone; prunetol; genisteol)
|
C15H10O5 |
|
1QKM |
(R, R)-5,11-Cis-Diethyl-5,6,11,12- Tetrahydrochrysene-2,8-Diol
|
C22H24O2 |
|
1L2I, 1L2J |
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
(7alpha,17beta)-N-butyl-3,17-dihydroxy-N-methyl-estra-
1,3,5(10)-triene-7-undecanamideici 164,384
|
C34H55NO3 |
|
1HJ1 |
|
Metribolone
|
C19H24O2 |
|
1E3K, 1E3G |
|
Dihydrotestosterone |
C19H30O2 |
|
1I37, 1I38 |
|
Progesterone |
C21H30O2 |
|
1A28 |
T3; Thyroid hormone
|
C15H12NO4I3 |
|
1BSX |
|
Oleic acid |
C18H34O2 |
|
1DKF (in mRXR alpha) |
|
BMS (4-[(4,4-dimethyl-1,2,3,4-tetrahydro-[1,2']binapthalenyl-7-carbonyl)-amino]-benzoic
acid) |
C29H26N2O3 |
|
1DKF (in the hRAR α receptor) |
|
Stearic acid |
C18H36O2 |
|
1K4W |
|
BMS270394 (R-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic
acid) |
C23H26NO4F |
|
1EXA |
|
BMS270395 (S-3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic
acid) |
C23H26NO4F |
|
1EXX |
BMS184394
(6-[hydroxy-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalen-2-yl)-methyl]-naphtalene-2-carboxylic
acid)
|
C26H28O3 |
|
1FCX |
|
CD564 (6-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphtalene-2-carbonyl)-naphtalene-2-carboxylic
acid)
|
C26H26O3 |
|
1FCY |
4-[3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-
naphthalen-2-yl)-propenyl]-benzoic acid
|
C24H26O3 |
|
1FCZ |
|
Retinoic acid |
C20H28O2 |
|
2LBD, 3LBD, 1FBY, 1G5Y, 1FM6 (hRXRα), 1FM9
(hRXRα), 1K74 (cis) (hRXRα) |
|
BMS961 (3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-YL)-acetylamino]-benzoic acid) |
C23H26NO4F |
|
4LBD |
|
LG100268 (6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-
tetrahydronaphthalen-2-yl)cyclopropyl]pyridine-3- carboxylic acid)
|
C24H29NO2 |
|
1H9U |
|
Rosiglitazone (BRL49653) (2,4-Thiazolidiinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-(9CL)) |
C18H19N3O3S |
|
1FM6 (hPPARγ), 2PRG |
|
GI262570 (2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic
acid) |
C34H30N2O5 |
|
1FM9 (hPPARγ) |
1alpha,25-dihydroxyl-20-epi-22-oxa-24,26,27-trihomo
vitamin D3
(5-(2-{1-[1-(4-ethyl-4-hydroxy-hexyloxy)-ethyl]-7A-methyl-octahydro-inden-4-ylidene}-ethylidene)-4-methylene-cyclohexane-1,3-diol)
|
C29H48O4 |
|
1IE8 |
|
1,25 DIHYDROXY VITAMIN D3 (5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7A-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol) |
C27H44O3 |
|
1IE9 ?????,
1DB1 |
|
SR12813 ([2-(3,5-di-tert-butyl-4-hydroxy-phenyl)-1-(diethoxy-
phosphoryl)-vinyl]-phosphonic acid diethlyl ester) |
C24H42O7P2 |
|
1ILH |
|
AZ 242 ((2S)-2-ethoxy-3-[4-(2-{4-[(methylsulfonyl)
oxy]phenyl}ethoxy)phenyl]propanoic acid)
|
C20H24O7S |
|
1I7G, 1I7I |
|
GW409544 (2-(1-methyl-3-oxo-3-phenyl-propylamino)-3-{4-[2-(5-
methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}- propionic acid)
|
C31H32N2O5 |
|
1K7L, 1K74 (hPPARγ) |
|
N-((2S)-2-({(1Z)-1-methyl-3-oxo-3-[4-(trifluoromethyl) phenyl]prop-1-enyl}amino)-3-{4-[2-(5-methyl-2-phenyl- 1,3-oxazol-4-yl)ethoxy]phenyl}propyl)propanamide |
C35H36N3O4F3 |
|
1KKQ |
2-(hexadecanoyloxy)-1-[(phosphonooxy)methyl]ethyl
hexadecanoate
(1,2-dipalmitoyl-sn-glycero-3-phosphate;
L-B,G-dipalmitoyl-A-phosphatidic acid disodium salt; 3-sn-phosphatidic acid;
1,2-dipalmitoyldisodium salt)
|
C35H69O8P |
|
1HG4 |
|
EPH (L-alpha-phosphatidyl-beta-oleoyl-gamma-palmitoyl-
phosphatidylethanolamine) |
C39H68NO8P |
|
1G2N |
|
THIAZOLIDINONE; GW0072 ((+/-)(2s,5s)-3-(4-(4-carboxyphenyl)butyl)-2-heptyl-4-
oxo-5-thiazolidine) |
C37H46N2O4S |
|
4PRG |
|
GW2433 (2-(4-{3-[1-[2-(2-chloro-6-fluoro-phenyl)-ethyl]-3-(2,3-dichloro-phenyl)-ureido]-propyl}-phenoxy)-2-methyl-propionic
acid)
|
C28H28N2O4FCl3 |
|
1GWX |
|
5,8,11,14,17-EICOSAPENTAENOIC ACID |
C20H30O2 |
|
3GWX |
