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GLASS

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

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
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	CHEMBL319
IUPHAR	22
DrugBank	N/A

Ligand

Name	oxymetazoline
Molecular formula	C16H24N2O
IUPAC name	6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
Molecular weight	260.381
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.9
Synonyms	Spectrum3_000533 UNII-8VLN5B44ZY Rhinolitan FT-0082560 HMS2089G03 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethyl-6-tert-butyl-phenol KBio2_006667 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethyl-phenol;hydrochloride MCULE-8690625159 AC-6370 NCGC00015766-03 Afrin Sinus 12 Hour Nasal Spray NCGC00015766-11 BPBio1_000295 Nezeril C07363 oxymeta zoline cid_66259 Oxymethazoline Dristan Long Lasting Nasal Mist Phenol, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl- (7CI,8CI) SCHEMBL24301 Spectrum_001051 Vicks Sinex 12 Hour Ultra Fine Mist for Sinus Relief Prestwick0_000224 Genasal Nasal Spray Up to 12 Hour Relief Iliadin 6-t-Butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol KBioSS_001531 8VLN5B44ZY Nasivine (Salt/Mix) Afrin Cherry 12 Hour Nasal Spray NCGC00015766-06 AK113123 NCGC00022345-02 BRD-K16195444-003-16-1 Operil (TN) CC-33432 Oxymetazoline (INN) Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl- DSSTox_GSID_40691 SPBio_002188 Tox21_110217 WYWIFABBXFUGLM-UHFFFAOYSA-N Prestwick3_000224 H-990 1491-59-4 KBio2_001531 6-tert-Butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethylphenol Lopac0_000903 AB00053513_14 NCGC00015766-01 Afrin Original 12 Hour Nose Drops NCGC00015766-09 BDBM30712 NCGC00022345-06 BSPBio_002145 Oximetazolinum Oxymetazolinum DivK1c_000567 Phenol, 6-t-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl- Duramist Plus Up To 12 Hour Nasal Decongestant Spray Spectrum4_000464 Vicks Sinex SBI-0050878.P004 FT-0601532 HSDB 3143 3-[(4,5-Dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethylphenol KBio3_001645 6-tert-Butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol Nafrine AC1L1IM1 NCGC00015766-04 Afrin, Dristan12-hrnasalspray, Ocuclear, Drixine NCGC00015766-13 BPBio1_000419 NINDS_000567 CAS-1491-59-4 oxymetazolina D08322 Oxymetozoline Drixoral Nasal Solution Phenol, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-(7CI,8CI) Sinerol STK075254 Visine L.R Prestwick1_000224 GTPL124 KB-302508 6-tert-butyl-3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-2,4-dimethylphenol L000459 AB00053513-12 Navasin Afrin Extra Moisturizing 12 Hour Nasal Spray NCGC00015766-07 AKOS007930348 NCGC00022345-04 BRN 0886303 Oximetazolina CCG-204985 oxymetazoline hydrochloride crystalline DB00935 Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl- (9CI) DSSTox_RID_79545 Spectrum2_000998 Tox21_110217_1 ZINC57435 Rhinofrenol EINECS 216-079-1 Hazol 2-(4-tert-Butyl-2,6-dimethyl-3-hydroxybenzyl)-2-imidazoline KBio2_004099 6-tert-Butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethyl-phenol LS-104146 AB00053513_15 NCGC00015766-02 Afrin Original 12 Hour Pump Mist NCGC00015766-10 Biomol-NT_000161 Neo-Synephrine 12 Hour Spray C-16261 Oxylazine CHEMBL762 Oxymetazolinum [INN-Latin] Dristan Long Lasting Mentholated Nasal Spray Phenol, 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl- SCH-9384 Spectrum5_001114 Vicks Sinex 12 Hour Nasal Spray FT-0650596 IDI1_000567 KBioGR_000908 6-tert-Butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol # Nasal Relief 12 Hour Nasal Spray Afrin NCGC00015766-05 AJ-09693 NCGC00015766-16 BRD-K16195444-001-01-7 Nostrilla 12 Hour Nasal Decongestant CAS-151615 D09EBS Phenol, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-6-(1,1-dimethylethyl)-2,4-dimethyl- DSSTox_CID_20691 Phenol,3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl- SPBio_001095 Tocris-1142 Visine L.R. Prestwick2_000224 H 990 KBio1_000567 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-phenol;hydrochloride Lopac-O-2378 AB00053513-13 Navisin Afrin Original 12 Hour Nasal Spray NCGC00015766-08 AN-10265 NCGC00022345-05 BSPBio_000267 Oximetazolina [INN-Spanish] CHEBI:7862 Oxymetazoline [INN:BAN] Decongestant (TN) Phenol, 3-[(4,5-dihydro-1H-imidazol-2-yl)methyl]-6-(1,1-dimethylethyl)-2,4-dimethyl-(9CI) DTXSID3040691 [ Show all ]
Inchi Key	WYWIFABBXFUGLM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
PubChem CID	4636
ChEMBL	CHEMBL762
IUPHAR	124
BindingDB	30712
DrugBank	DB00935
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	288.4 nM	PMID8831777	ChEMBL
Emax	80.0 %	PMID8831777	ChEMBL
IC50	38.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1.9 nM	PMID17827	BindingDB
Ki	6.457 nM	PMID8831777	ChEMBL
Ki	16.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	24.0 nM	PMID17827	BindingDB
Ki	794.32 nM	PMID7815325	BindingDB
Ki	2140.0 nM	PMID1706716	BindingDB

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