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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Mus musculus (Mouse)
Gene	Htr2a
Synonym	serotonin 5HT-2 receptor 5Ht-2 'D' receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5-HT2A receptor 5-HT-2A 5-HT-2 Serotonin receptor 2A [ Show all ]
Disease	N/A for non-human GPCRs
Length	471
Amino acid sequence	MEILCEDNISLSSIPNSLMQLGDDSRLYPNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLSSFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPTLAYKSSQLQVGQKKNSQEDAEPTANDCSMVTLGNQHSEEMCTDNIETVNEKVSCV
UniProt	P35363
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5377
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	ethisterone
Molecular formula	C21H28O2
IUPAC name	(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular weight	312.453
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.5
Synonyms	17-alpha-Ethynyltestosterone HMS3712F04 17alpha-Ethinyl testosterone MLS001076282 4-08-00-01225 (Beilstein Handbook Reference) NCGC00255184-01 AB2000700 Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17alpha)- (9CI) Anhydrohydroxyprogesterone Progestab BDBM50198711 SCHEMBL24475 CHEBI:34749 Tox21_111604 DSSTox_RID_76831 Etisterona Etisterone [DCIT] 17-Ethinyl testosterone Lucorteum Oral 17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one NCGC00021466-03 A826270 Opera_ID_1078 Aethisteron Prestwick3_000261 B1502 Progestoral BRN 1889895 SR-01000002984-2 CHNXZKVNWQUJIB-CEGNMAFCSA-N Trosinone EC 207-096-5 Ethisterone, >=99% (HPLC) (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (8R,9S,10R,13S,14S,17S)-17-ethynyl-17-hydroxy-10,13-dimethyl-1,7,8,10,11,12,13,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-one HMS2095F04 17-Hydroxy-17-alpha-pregn-4-en-20-yn-3-one MFCD00003656 17beta-Hydroxy-4,17alpha-pregnen-20-yn-3-one NCGC00095023-01 AB00384255_14 Praegninum AKOS005622724 Prodroxan BCP23355 Prone CAS-434-03-7 Testosterone, 17-ethynyl- DSSTox_CID_3016 Ethinyl testosterone Ethisteronum [INN-Latin] 17-alpha-Pregn-4-en-20-yn-3-one, 17-hydroxy- HY-B0487 17alpha-Ethinyltestosterone MolPort-002-507-150 434-03-7 NSC 9565 AC-2170 Pregneninolone Anhydroxyprogesterone Progestin P BPBio1_000114 SMR000058320 Tox21_111604_1 DTXSID2023016 Ethisterone anhydrohydroxyprogesterone (17alpha)-17-hydroxypregn-4-en-20-yn-3-one Etisterona [INN-Spanish] Gestoral 17-Ethinyltestosterone Lutidon Oral 17alpha-Ethynyltestosterone NCGC00021466-05 AB00384255-11 Ora-Lutin Aethisteronum Primolut C BBL028141 Prolutol BSPBio_000102 STK801873 Colutoid UNII-P201BVY1MJ EINECS 207-096-5 Ethisterone, VETRANAL(TM), analytical standard (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one 17 beta-Hydroxy-4,17alpha-pregnen-20-yn-3-one HMS2234J08 17-hydroxy-17alpha-pregn-4-en-20-yn-3-one MLS000069396 4,17alpha-Pregnen-17beta-ol-20-yn-3-one NCGC00159363-02 AB00490005 Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17-alpha)- (9CI) Androst-4-en-3-one, 17alpha-ethynyl-17-hydroxy- Produxan BCP9000664 s2611 CCG-220261 Tox21_111393 DSSTox_GSID_23016 Ethinyltestosterone Ethynyltestosterone Etisterone 17-beta-Hydroxy-17-alpha-ethynyl-4-androsten-3-one I034 17alpha-ethynyl-17beta-hydroxy-androst-4-en-3-one Nalutoral 434E037 Nugestoral AC1NR4OD Pregnin AS-13381 Progestolets BRD-K03981224-001-02-9 SR-01000002984 CHEMBL241694 Tox21_302324 E0040 Ethisterone [INN:BAN:NF] (8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one HMS2090E14 17-Ethynyl-17beta-hydroxyandrost-4-en-3-one MCULE-2690578106 17alpha-Pregn-4-en-20-yn-3-one, 17-hydroxy- (8CI) NCGC00021466-06 AB00384255-13 P201BVY1MJ AI3-26421 Prodoxan BCP0726000218 Proluton C C14487 Syngestrotabs CS-2603 ZINC3881635 Ethinone Ethisteronum (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one [ Show all ]
Inchi Key	CHNXZKVNWQUJIB-CEGNMAFCSA-N
Inchi ID	InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
PubChem CID	5284557
ChEMBL	CHEMBL241694
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	5846.0 nM	PubChem BioAssay data set	ChEMBL

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