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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Homo sapiens (Human)
Gene	HTR1A
Synonym	5-HT-1A 5-HT1A serotonin receptor 1A 5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Gpcr18 ADRB2RL1 ADRBRL1 G-21 [ Show all ]
Disease	Urinary incontinence Generalized anxiety disorder Generalized anxiety disorder; Social phobia Hypertension Hypoactive sexual desire disorder Major depressive disorder Major depressive disorder; Episode; Anxiety Migraine Mood disorder Pain Parkinson's disease Premature ejaculation Psychiatric disorder Psychotic disorders Schizoaffective disorder; Schizophrenia Severe mood disorders Unspecified Female sexual dysfunction Eating disorder Schizophrenia Alzheimer disease Alzheimer disease; Peripheral sensory neuropathies; Lateral sclerosis Bulimia nervosa; Severe mood disorders Cervical dystonia; Spasm Cognitive disorders Anxiety disorder Depression Coronary artery disease [ Show all ]
Length	422
Amino acid sequence	MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProt	P08908
Protein Data Bank	N/A
GPCR-HGmod model	P08908
3D structure model	This predicted structure model is from GPCR-EXP P08908.
BioLiP	N/A
Therapeutic Target Database	T78709
ChEMBL	CHEMBL214
IUPHAR	1
DrugBank	BE0000291

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	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 AB00053567_11 SPBio_002186 Balminil (TN) STK558658 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 SBB038185 AC1Q2GWN Spectrum4_000382 BRD-K08356259-003-05-6 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 SEL14934364 Ba 11391 ST024781 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 AB00053567_12 Spectrum2_000945 BDBM30703 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) SBI-0051235.P003 AKOS000115430 Spectrum5_001469 BRD-K08356259-003-15-5 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 526B363 SPBio_000910 Ba-11391 stas 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 AC1L1KYN Spectrum3_000586 BPBio1_000293 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 SCHEMBL34087 AN-45560 Spectrum_000382 BRN 0180524 [ 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
EC50	129.0 nM	N/A	BindingDB
EC50	99000.0 nM	N/A	BindingDB

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