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GPCR

Name	Alpha-1B adrenergic receptor
Species	Mesocricetus auratus (Golden hamster)
Gene	ADRA1B
Synonym	Alpha-1B adrenoceptor Alpha-1B adrenoreceptor
Disease	N/A for non-human GPCRs
Length	515
Amino acid sequence	MNPDLDTGHNTSAPAQWGELKDANFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRSGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGSQRTLPSASPSPGYLGRGAQPPLELCAYPEWKSGALLSLPEPPGRRGRLDSGPLFTFKLLGEPESPGTEGDASNGGCDATTDLANGQPGFKSNMPLAPGHF
UniProt	P18841
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	CHEMBL3122
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	3600-87-1
Molecular formula	C10H15NO3
IUPAC name	2-amino-1-(2,5-dimethoxyphenyl)ethanol
Molecular weight	197.234
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	0.1
Synonyms	2-amino-1-(2',5'-dimethoxyphenyl) ethanol 52047-77-5 AKOS016842856 FT-0674660 SCHEMBL476432 ST50407701 (+/-)-2-amino-1-(2,5-dimethoxyphenyl)ethanol 2-amino-1-(2,5-dimethoxyphenyl)ethan-1-ol AB01002492-01 BDBM50118702 DB-027711 Midodrine Related Compound A (Desglymidodrine) Z380844680 2,5-Dimethoxy-beta-hydroxyphenethylamine AC1Q4872 C21521 DESGLYMIDODRINE Orvaten (+-)-2-amino-1-(2,5-dimethoxyphenyl)ethanol 2-amino-1-(2',5'-dimethoxyphenyl)ethanol 600A871 alpha-(Aminomethyl)-2,5-dimethoxybenzenemethanol CHEMBL1076 KB-19462 ST 1059 TC-146150 1-(2',5'-dimethoxyphenyl)-2-aminoethanol 2-amino-1-(2,5-dimethoxyphenyl)ethanol AC1L29I0 Benzenemethanol, a-(aminomethyl)-2,5-dimethoxy- de-glymidodrine MolPort-001-793-604 2-Amino-(2,5-dimethoxyphenyl)ethanol AKOS000123871 CHEBI:73248 EN300-36742 rac-2-amino-1-(2,5-dimethoxyphenyl)ethanol ST-1059 (+/-)-2-Amino-1-(2, 5 dimethoxyphenyl) ethanol 2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol 60407-53-6 (hydrochloride) ANW-57405 CTK4H5735 MCULE-6688431628 VFRCNXKYZVQYLX-UHFFFAOYSA-N 1-(2',5'-Dimethoxyphenyl)aminoethanol 2-Amino-1-(2,5-dimethoxyphenyl)ethanol, AldrichCPR AC1Q4871 Benzyl alcohol, alpha-(aminomethyl)-2,5-dimethoxy- Deglymidodrine NE21743 [ Show all ]
Inchi Key	VFRCNXKYZVQYLX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
PubChem CID	43260
ChEMBL	CHEMBL1076
IUPHAR	N/A
BindingDB	50118702
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	6900.0 nM	PMID12238918	ChEMBL
Ki	6918.31 nM	PMID15163201, Med Chem Res, (2004) 13:3:134	ChEMBL

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