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GPCR

Name	Alpha-1B adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1B
Synonym	alpha1B-adrenoceptor alpha1B-adrenergic receptor Alpha-1B adrenoreceptor Alpha-1B adrenoceptor alpha 1B-adrenoreceptor alpha 1B-adrenoceptor adrenergic receptor adrenergic alpha 1B receptor [ Show all ]
Disease	Psychiatric disorder Hypertension Exogenous obesity Attention deficit hyperactivity disorder
Length	520
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF
UniProt	P35368
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T29500
ChEMBL	CHEMBL232
IUPHAR	23
DrugBank	BE0000575

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	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) SBI-0051235.P003 AKOS000115430 Spectrum5_001469 BRD-K08356259-003-15-5 Xilometazolina CCG-205342 Xylometazolinum [INN-Latin] DB-052151 F1371-0282 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 526B363 SPBio_000910 Ba-11391 stas BSPBio_002032 Xylometazoline (INN) CHEMBL312448 ZX-AL000401 Decongestant (nasal mucoadhesive/MucoAd, congestion), Strategic BioSciences 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 AC1L1KYN Spectrum3_000586 BPBio1_000293 VU0239751-6 CAS-1218-35-5 Xylometazoline [INN:BAN] D08684 EINECS 208-390-6 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 SCHEMBL34087 AN-45560 Spectrum_000382 BRN 0180524 Xilometazolina [INN-Spanish] CHEBI:10082 Xylomethazoline FT-0603452 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 AB00053567_11 SPBio_002186 Balminil (TN) STK558658 C-14837 Xylometazoline (nasal mucoadhesive/MucoAd, congestion) cid_5282386 DivK1c_000158 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 SBB038185 AC1Q2GWN Spectrum4_000382 BRD-K08356259-003-05-6 WPY40FTH8K CC-05925 Xylometazolinum D0Y4DY EN300-02385 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 SEL14934364 Ba 11391 ST024781 BSPBio_000265 ZINC57534 DB06694 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 AB00053567_12 Spectrum2_000945 BDBM30703 UNII-WPY40FTH8K C07913 Xylometazoline (nasal mucoadhesive/MucoAd, congestion), Strategic BioSciences CTK4J6214 DTXSID8046957 [ 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
	N/A	N/A	DrugBank

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