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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-1B adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1b
Synonym	adrenergic receptor alpha 1B-adrenoceptor alpha 1B-adrenoreceptor adrenergic alpha 1B receptor Alpha-1B adrenoceptor Alpha-1B adrenoreceptor alpha1B-adrenergic receptor alpha1B-adrenoceptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	515
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
UniProt	P15823
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	CHEMBL315
IUPHAR	23
DrugBank	N/A

Ligand

Name	CHEMBL19376
Molecular formula	C19H28N6O3
IUPAC name	(2S)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide
Molecular weight	388.472
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	1.3
Synonyms	4-Amino-6,7-dimethoxy-2-[(3S)-3-(t-butylcarbamoyl)-1-piperazinyl]quinazoline (S)-1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-3-(1,1-dimethylethylamino)carbonyl piperazine SCHEMBL6442462 (S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazine-2-carboxylic acid tert-butylamide BDBM50063908 (2S)-N-tert-Butyl-4-(4-amino-6,7-dimethoxyquinazoline-2-yl)piperazine-2alpha-carboxamide FACJCZHMOYUSSW-ZDUSSCGKSA-N [ Show all ]
Inchi Key	FACJCZHMOYUSSW-ZDUSSCGKSA-N
Inchi ID	InChI=1S/C19H28N6O3/c1-19(2,3)24-17(26)13-10-25(7-6-21-13)18-22-12-9-15(28-5)14(27-4)8-11(12)16(20)23-18/h8-9,13,21H,6-7,10H2,1-5H3,(H,24,26)(H2,20,22,23)/t13-/m0/s1
PubChem CID	10739024
ChEMBL	CHEMBL19376
IUPHAR	N/A
BindingDB	50063908
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1500.0 nM	PMID9548811	BindingDB,ChEMBL
IC50	2700.0 nM	PMID9548811	BindingDB,ChEMBL
Ki	1500.0 nM	PMID9548811	BindingDB,ChEMBL

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