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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	3-MPPI
Molecular formula	C23H25N5O3
IUPAC name	3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
Molecular weight	419.485
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.7
Synonyms	133399-65-2 AC1N1ZOQ CHEBI:114191 NCGC00024664-03 BDBM50006952 HMS3266M22 Tocris-0581 3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1,5-dihydro-pyrimido[5,4-b]indole-2,4-dione BRD-K62581435-001-01-2 NCGC00024664-01 2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4,9-dihydro-2,4,9-triaza-fluorene-1,3-dione AKOS024458570 SR-01000597636 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione Biomol-NT_000127 J-006367 ZINC29486259 BRD-K62581435-001-02-0 NCGC00024664-02 3-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione B6361 CHEMBL301707 SR-01000597636-1 3-[2-[4-(2-Methoxyphenyl)piperazino]ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione BPBio1_000310 MolPort-023-275-899 [ Show all ]
Inchi Key	AQASGOHUMGAWJJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
PubChem CID	4013695
ChEMBL	CHEMBL301707
IUPHAR	N/A
BindingDB	50006952
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	1.82 nM	PMID21514979, PMID12825930, PMID17027264	BindingDB,ChEMBL

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