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GPCR

Name	G-protein coupled estrogen receptor 1
Species	Homo sapiens (Human)
Gene	GPER1
Synonym	Chemoattractant receptor-like 2 Gpr41 IL8-related receptor DRY12 LERGU LERGU2 LYGPR Lymphocyte-derived G-protein coupled receptor Membrane estrogen receptor mER GPR30 GPGR GPER chemokine receptor-like 2 CMKRL2 DRY12 FEG-1 Flow-induced endothelial G-protein coupled receptor 1 G protein-coupled estrogen receptor 1 G-protein coupled receptor 30 CEPR GPCR-BR [ Show all ]
Disease	N/A
Length	375
Amino acid sequence	MDVTSQARGVGLEMYPGTAQPAAPNTTSPELNLSHPLLGTALANGTGELSEHQQYVIGLFLSCLYTIFLFPIGFVGNILILVVNISFREKMTIPDLYFINLAVADLILVADSLIEVFNLHERYYDIAVLCTFMSLFLQVNMYSSVFFLTWMSFDRYIALARAMRCSLFRTKHHARLSCGLIWMASVSATLVPFTAVHLQHTDEACFCFADVREVQWLEVTLGFIVPFAIIGLCYSLIVRVLVRAHRHRGLRPRRQKALRMILAVVLVFFVCWLPENVFISVHLLQRTQPGAAPCKQSFRHAHPLTGHIVNLAAFSNSCLNPLIYSFLGETFRDKLRLYIEQKTNLPALNRFCHAALKAVIPDSTEQSDVRFSSAV
UniProt	Q99527
Protein Data Bank	N/A
GPCR-HGmod model	Q99527
3D structure model	This predicted structure model is from GPCR-EXP Q99527.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5872
IUPHAR	221
DrugBank	BE0003446

Ligand

Name	estradiol benzoate
Molecular formula	C25H28O3
IUPAC name	[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Molecular weight	376.496
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.5
Synonyms	Benzofoline Gynformone beta-Estradiol 3-benzoate, VETRANAL(TM), analytical standard LS-64726 (17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl benzoate Diffollisterol .beta.-Oestradiol benzoate Diogyn B 17-beta-Estradiol benzoate Eston-B 17beta-Estradiol 3-benzoate Estra-1,5(10)-triene-3,17-diol (17.beta.)-, 3-benzoate A828140 Estradiol benzoate [INN:JAN] BCP09252 Estradiol-17.beta. 3-benzoate Benzoate d'estradiol Estrogin Oestradiol monobenzoate Ovahormon benzoate Primogyn boleosum s4110 Tox21_110868 MolPort-002-506-887 Follidrin Benzoic acid estradiol Hormogynon C13444 CS-4780 (1S,11S,14S,15S,10R)-14-hydroxy-15-methyltetracyclo[8.7.0.0<2,7>.0<11,15>]hept adeca-2,4,6-trien-5-yl benzoate Dihydroestrin benzoate 1,3,5(10)-Estratriene-3,17.beta.-diol 3-benzoate DSSTox_RID_76823 17-Hydroxyestra-1(10),2,4-trien-3-yl benzoate, (17.beta.)- Estra-1,3,5(10)-triene-3,17-diol(17b)-, 3-benzoate 1S4CJB5ZGN Estradiol 3-benzoate Agofollin Depot Estradiol benzoate, European Pharmacopoeia (EP) Reference Standard Benzestrofol Estradioli benzoas Benzoate d'oestradiol [French] NSC 9566 Oestradiolum benzoylatum Ovocyclin M Progynon benzoate SMR000058343 UYIFTLBWAOGQBI-BZDYCCQFSA-N MCULE-4397350362 Gynecormone beta-Estradiol 3-benzoate I(2)-Estradiol 3-benzoate CCRIS 281 (17.beta.)-Estra-1,3,5(10)-triene-3,17-diol 3-benzoate De graafina .beta.-Estradiol benzoate Dimenformon benzoate 17-.beta.-Oestradiol 3-benzoate EBZ 17.beta.-Estradiol benzoate estra-1,3,5(10)-triene-3,17beta-diol 3-benzoate 4-09-00-00406 (Beilstein Handbook Reference) Estradiol benzoate (VAN) AN-41561 ESTRADIOL, 3-BENZOATE Benzo-Ginestryl Estradiolo benzoato Benzoestrofol Oestradiol 3-benzoate Oestroform [BDH] Primogyn B Recthormone oestradiol SR-01000003080-3 [(8R,9S,13S,14S,17S)-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate MLS000028477 Benzogynestryl Hidroestron BIDD:ER0126 CHEMBL282575 (17beta)-Estra-1,3,5(10)-triene-3,17-diol 3-benzoate Difolliculin 003E692 DSSTox_CID_2998 17-beta-Oestradiol 3-benzoate Estra-1,3,5(10)-triene-3,17-beta-diol, 3-benzoate 17beta-Estradiol monobenzoate Estra-1,5(10)-triene-3,17.beta.-diol, 3-benzoate AC1L5C20 Estradiol benzoate [INN] BDBM56905 Estradiol-17.beta. benzoate Benzoate d'estradiol [INN-French] Femestrone Oestradioli benzoas Ovasterol-B Primogyn I SC-16195 UNII-1S4CJB5ZGN NCGC00021274-03 Folone benzoic acid [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester HY-B1192 C25H28O3 D01953 (8R,9S,13S,14S,17S)-17-Hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl benzoate Dihydrofolliculin benzoate 1,3,5(10)-Oestratriene-3,17-.beta.-diol 3-benzoate DTXSID9022998 17-\|A-estradiol 3-benzoate Estra-1,3,5(10)-triene-3,17-diol, (17beta)-, 3-benzoate 3-Benzoyloxy-17.beta.-hydroxyestra-1,3,5(10)-triene AI3-52465 Estradiol benzoate, United States Pharmacopeia (USP) Reference Standard Benzhormovarine Estradioli benzoas [INN-Latin] Benzoato de estradiol NSC-9566 Oestraform Ovocyclin-MB Progynon-B Solestro WLN: L E5 B666TTT&J E1 FQ OOVR Mesalin Benzoestrofol difolliculin Gynecormone Gouttes beta-Estradiol 3-benzoate, >=97% J10448 CHEBI:77006 (17?)-17-Hydroxyestra-1(10),2,4-trien-3-yl benzoate Diffolisterol,(S) .beta.-Oestradiol 3-benzoate Dimenformone 17-beta-Estradiol 3-benzoate EINECS 200-043-7 17.beta.-Estradiol monobenzoate Estra-1,3,5(10)-triene-3,17beta-diol, 3-benzoate 50-50-0 Estradiol benzoate for system suitability, European Pharmacopoeia (EP) Reference Standard AS-13030 Estradiol-17-beta-3-benzoate Benzo-Gynoestryl Estradiolo benzoato [DCIT] Oestradiol benzoate Ostrin Primogyn B oleosum Reglovar ST075190 [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate MLS002207215 Benzogynoestryl HMS2232P14 BRN 3107526 cid_222757 (1S,10R,11S,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-5-yl benzoate Difolliculine 1,3,5(10)- AEcThornI(c)-3,17\|A- paragraph signthorn (1/4)-3-+/-(1/2)(1/4)xEao yen DSSTox_GSID_22998 17-estradiol 3-benzoate Estra-1,3,5(10)-triene-3,17-diol (17-beta)-3-benzoate 17\|A-Estradiol-3-benzoate Estradiol (benzoate) AC1Q60XX Estradiol benzoate [USP:INN:BAN:JAN] Benovocylin Estradiol-17beta 3-benzoate Benzoate d'oestradiol Follicormon NCGC00021274-05 Oestradiolum benzoicum Ovocyclin Benzoate Progynon B SCHEMBL174896 Unistradiol Graafina Benztrone Hydroxyestrin benzoate CAS-50-50-0 .beta.-Estradiol 3-benzoate Dihydrofolliculine benzoate 1,5(10)-Estratriene-3,17.beta.-diol 3-benzoate E0329 17.beta.-Estradiol 3-benzoate Estra-1,3,5(10)-triene-3,17.beta.-diol, 3-benzoate 3-oC>>u AEcThorn-1,3,5(10)-EyI(c)-17b- (1/4)-3-+/-(1/2)(1/4)xEao yen Estradiol benzoate (JP17) AKOS015955542 Estradiol monobenzoate Benzo-Gineostril Estradiolo Amsa Benzoato de estradiol [INN-Spanish] NSC9566 Oestraform (BDH) Pelanin benzoate Q-201505 SR-01000003080 ZINC3881345 Metroval [ Show all ]
Inchi Key	UYIFTLBWAOGQBI-BZDYCCQFSA-N
Inchi ID	InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
PubChem CID	222757
ChEMBL	CHEMBL282575
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB13953
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank

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