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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Alpha-2A adrenergic receptor
Species	Mus musculus (Mouse)
Gene	Adra2a
Synonym	alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2AAR Alpha-2A adrenoreceptor Alpha-2A adrenoceptor adrenergic receptor Adrenergic alpha 2A receptor ADRA2R ADRA2 Adra-2a Adra-2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	450
Amino acid sequence	MGSLQPDAGNSSWNGTEAPGGGTRATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKVWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKGAGGGQQPAEPSCKINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDACSAPPGGADRRPNGLGPERGAGPTGAEAEPLPTQLNGAPGEPAPAGPRDGDALDLEESSSSEHAERPPGPRRPDRGPRAKGKTRASQVKPGDSLPRRGPGAAGPGASGSGHGEERGGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLIAVGCPVPSQLFNFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	Q01338
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	CHEMBL4075
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	xylometazoline
Molecular formula	C16H24N2
IUPAC name	2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
Molecular weight	244.382
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	3.2
Synonyms	SBB038185 AC1Q2GWN Spectrum4_000382 BRD-K08356259-003-05-6 WPY40FTH8K CC-05925 Xylometazolinum D0Y4DY EN300-02385 KBio2_000862 Lopac-X-6000 2-(4'-tert-butyl-2',6'-dimethylphenylmethyl)imidazoline NCGC00016101-04 2-[(4-t-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole Otriven SEL14934364 Ba 11391 ST024781 BSPBio_000265 ZINC57534 DB06694 GTPL517 KBio3_001532 1218-35-5 (mono-hydrochloride) MCULE-9501725536 2-(4-tert-Butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazole NCGC00016101-07 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride Otrix 526-36-3 AB00053567_12 Spectrum2_000945 BDBM30703 UNII-WPY40FTH8K C07913 Xylometazoline (nasal mucoadhesive/MucoAd, congestion), Strategic BioSciences CTK4J6214 DTXSID8046957 IDI1_000158 KS-5071 1H-Imidazole, 2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro- NCGC00016101-02 2-(4-tert-Butyl-2,6-dimethylbenzyl)-4,5-dihydro-1H-imidazole # NINDS_000158 2-[[4-(1,1-Dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-1H-imidazole Prestwick2_000223 SBI-0051235.P003 AKOS000115430 Spectrum5_001469 BRD-K08356259-003-15-5 Xilometazolina CCG-205342 Xylometazolinum [INN-Latin] DB-052151 F1371-0282 KBio2_003430 Lopac0_001269 2-(4-(tert-butyl)-2,6-dimethylbenzyl)-4,5-dihydro-1H-imidazole NCGC00016101-05 2-[(4-t-butyl-2,6-dimethylphenyl)methyl]4,5dihydro-1H-imidazole Otrivin 5-23-07-00109 (Beilstein Handbook Reference) 526B363 SPBio_000910 Ba-11391 stas BSPBio_002032 Xylometazoline (INN) CHEMBL312448 ZX-AL000401 Decongestant (nasal mucoadhesive/MucoAd, congestion), Strategic BioSciences HMS3604M22 KBioGR_000903 1H-Imidazole, 2-((4-(1,1-dimethylethyl)-2,6-dimethylphenyl)methyl)-4,5-dihydro- MolPort-000-198-725 2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline NCGC00016101-09 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole Prestwick0_000223 AC1L1KYN Spectrum3_000586 BPBio1_000293 VU0239751-6 CAS-1218-35-5 Xylometazoline [INN:BAN] D08684 EINECS 208-390-6 KBio1_000158 L001171 1H-Imidazole,2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro- NCGC00016101-03 2-IMIDAZOLINE, 2-(4-tert-BUTYL-2,6-DIMETHYLBENZYL)- Novorin 2-{[4-(tert-butyl)-2,6-dimethylphenyl]methyl}-2-imidazoline Prestwick3_000223 SCHEMBL34087 AN-45560 Spectrum_000382 BRN 0180524 Xilometazolina [INN-Spanish] CHEBI:10082 Xylomethazoline FT-0603452 KBio2_005998 LS-79581 2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline;hydrochloride NCGC00016101-06 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-4,5-dihydro-1H-imidazole Otrivine AB00053567_11 SPBio_002186 Balminil (TN) STK558658 C-14837 Xylometazoline (nasal mucoadhesive/MucoAd, congestion) cid_5282386 DivK1c_000158 HUCJFAOMUPXHDK-UHFFFAOYSA-N KBioSS_000862 1H-Imidazole, 2-((4-(1,1-dimethylethyl)-2,6-dimethylphenyl)methyl)-4,5-dihydro- (9CI) NCGC00016101-01 2-(4-tert-Butyl-2,6-dimethylbenzyl)-4,5-dihydro-1H-imidazole NCGC00024281-03 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride Prestwick1_000223 [ Show all ]
Inchi Key	HUCJFAOMUPXHDK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
PubChem CID	5709
ChEMBL	CHEMBL312448
IUPHAR	517
BindingDB	30703
DrugBank	DB06694
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	23.99 nM	PMID9605427	BindingDB
Ki	25.7 nM	PMID9605427	BindingDB

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