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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	CHEMBL145587
Molecular formula	C30H38F2N4O3
IUPAC name	methyl 4-(3,4-difluorophenyl)-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-2,6-dimethyl-4H-pyrimidine-5-carboxylate
Molecular weight	540.656
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	4.3
Synonyms	BDBM50082873 6-(3,4-Difluoro-phenyl)-1-{5-[4-(2-methoxy-phenyl)-piperazin-1-yl]-pentyl}-2,4-dimethyl-1,6-dihydro-pyrimidine-5-carboxylic acid methyl ester 1-[5-[4-(2-Methoxyphenyl)-1-piperazinyl]pentyl]-2,4-dimethyl-6-(3,4-difluorophenyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester
Inchi Key	AOIKUDXNCODUKV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H38F2N4O3/c1-21-28(30(37)39-4)29(23-12-13-24(31)25(32)20-23)36(22(2)33-21)15-9-5-8-14-34-16-18-35(19-17-34)26-10-6-7-11-27(26)38-3/h6-7,10-13,20,29H,5,8-9,14-19H2,1-4H3
PubChem CID	10650129
ChEMBL	CHEMBL145587
IUPHAR	N/A
BindingDB	50082873
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	67.0 nM	PMID10579843	BindingDB,ChEMBL

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