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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	Roxindole
Molecular formula	C23H26N2O
IUPAC name	3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
Molecular weight	346.474
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	4.6
Synonyms	118372-EP2298764A1 L001062 Roxindole [INN] ZINC1548439 3-(4-(3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-1H-indol-5-ol AC1Q7AGH DSSTox_CID_23895 NCGC00025216-03 SCHEMBL49673 112192-04-8 3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indol-5-ol CAS-112192-04-8 DTXSID5043895 roxindol Tox21_110955_1 118372-EP2298765A1 CHEMBL431367 NCGC00025216-01 roxindole[inn] 100239-55-2 (x HCl) 3-(4-(3,6-Dihydro-4-phenyl-1(2H)-pyridylbutyl)indol-5-ol AJ-26886 DSSTox_GSID_43895 PDSP1_001392 Tocris-1559 118372-EP2275420A1 43227SMS0O CHEBI:48558 GTPL52 UNII-43227SMS0O 119742-13-1 (mesylate) AC1L55YV D01GEB NCGC00025216-02 roxindolum 108050-82-4 (mono HCL) 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol BDBM50002173 DSSTox_RID_80082 PDSP2_001376 Tox21_110955 [ Show all ]
Inchi Key	HGEYJZMMUGWEOT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
PubChem CID	219050
ChEMBL	CHEMBL431367
IUPHAR	52
BindingDB	50002173
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	2.81838 nM	PMID12388666	PDSP
Ki	2.82 nM	PMID12388666	BindingDB

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