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GPCR

Name	Alpha-2C adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2C
Synonym	alpha2-C4 Adra-2c ADRA2L2 ADRA2RL2 Adrenergic alpha2C- receptor class I adrenergic receptor alpha-2 adrenergic receptor subtype C4 alpha2C-adrenoceptor alpha-2C adrenergic receptor Alpha-2C adrenoceptor alpha-2C adrenoreceptor Alpha-2CAR [ Show all ]
Disease	Diabetic nephropathy; Fibromyalgia Hypertension Heart failure Glaucoma Alzheimer disease Asthma Erythema Contusion Depression Hypotension Male sexual disorders Neurological disease Obesity Ocular disease Allergic rhinitis Alcohol use disorders Ocular hypertension Poison intoxication Peptic ulcer Pain [ Show all ]
Length	462
Amino acid sequence	MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProt	P18825
Protein Data Bank	N/A
GPCR-HGmod model	P18825
3D structure model	This predicted structure model is from GPCR-EXP P18825.
BioLiP	N/A
Therapeutic Target Database	T01777
ChEMBL	CHEMBL1916
IUPHAR	27
DrugBank	BE0004864, BE0000342, BE0004888

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	Estradiol benzoate (VAN) AN-41561 ESTRADIOL, 3-BENZOATE Benzo-Ginestryl Estradiolo benzoato Benzoestrofol 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) Tox21_110868 MolPort-002-506-887 Oestradiol monobenzoate Ovahormon benzoate Primogyn boleosum s4110 Estradiol benzoate [INN] BDBM56905 Estradiol-17.beta. benzoate Benzoate d'estradiol [INN-French] Femestrone 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 SMR000058343 UYIFTLBWAOGQBI-BZDYCCQFSA-N MCULE-4397350362 NSC 9566 Oestradiolum benzoylatum Ovocyclin M Progynon benzoate AI3-52465 Estradiol benzoate, United States Pharmacopeia (USP) Reference Standard Benzhormovarine Estradioli benzoas [INN-Latin] Benzoato de estradiol 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 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 Oestradiol 3-benzoate Oestroform [BDH] Primogyn B Recthormone oestradiol Estradiol benzoate for system suitability, European Pharmacopoeia (EP) Reference Standard AS-13030 Estradiol-17-beta-3-benzoate Benzo-Gynoestryl Estradiolo benzoato [DCIT] 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 UNII-1S4CJB5ZGN NCGC00021274-03 Oestradioli benzoas Ovasterol-B Primogyn I SC-16195 AC1Q60XX Estradiol benzoate [USP:INN:BAN:JAN] Benovocylin Estradiol-17beta 3-benzoate Benzoate d'oestradiol Follicormon 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) Solestro WLN: L E5 B666TTT&J E1 FQ OOVR Mesalin NSC-9566 Oestraform Ovocyclin-MB Progynon-B AKOS015955542 Estradiol monobenzoate Benzo-Gineostril Estradiolo Amsa Benzoato de estradiol [INN-Spanish] 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) 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 Oestradiol benzoate Ostrin Primogyn B oleosum Reglovar Estradiol benzoate [INN:JAN] BCP09252 Estradiol-17.beta. 3-benzoate Benzoate d'estradiol Estrogin 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 SCHEMBL174896 Unistradiol NCGC00021274-05 Oestradiolum benzoicum Ovocyclin Benzoate Progynon B Agofollin Depot Estradiol benzoate, European Pharmacopoeia (EP) Reference Standard Benzestrofol Estradioli benzoas Benzoate d'oestradiol [French] 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 SR-01000003080 ZINC3881345 Metroval NSC9566 Oestraform (BDH) Pelanin benzoate Q-201505 [ 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
IC50	24650.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	3582.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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