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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	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	benalfocin
Molecular formula	C11H14ClN
IUPAC name	6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
Molecular weight	195.69
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	2.9
Synonyms	BDBM66983 CTK8D9445 MB01559 RSRUDTPYRBLHEO-UHFFFAOYSA-N UNII-YCN2U5UGIQ 6-chloro-3-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine 73943-10-9 CCG-205133 KB-293371 NCGC00015930-02 SK&F-86466 1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl- AC1Q3P63 CHEMBL123349 LS-186796 PDSP1_000725 SKF-86466 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine 6-chloro-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine D06UBB MLS002172470 SCHEMBL8083358 YCN2U5UGIQ 7713-86-2 CHEBI:8986 Lopac-S-1563 NCGC00015930-03 SK-86466 6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride AKOS030558322 cid_10220250 LS-187466 PDSP2_000715 SMR001254100 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride C10970 DTXSID70224650 NCGC00015930-01 SK&F 86466 ZINC900633 AC1L3XO4 Lopac0_001056 NCGC00162330-01 Skf 86466 6-Chloro-2,3,4,5-tetrahydro-3-methyl-1H-3-benzazepine [ Show all ]
Inchi Key	RSRUDTPYRBLHEO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14ClN/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13/h2-4H,5-8H2,1H3
PubChem CID	123981
ChEMBL	CHEMBL123349
IUPHAR	N/A
BindingDB	66983
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	485.0 nM	PMID7562902	BindingDB,ChEMBL

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