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GLASS

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GPCR

Name	Alpha-1B adrenergic receptor
Species	Mesocricetus auratus (Golden hamster)
Gene	ADRA1B
Synonym	Alpha-1B adrenoceptor Alpha-1B adrenoreceptor
Disease	N/A for non-human GPCRs
Length	515
Amino acid sequence	MNPDLDTGHNTSAPAQWGELKDANFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRSGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGSQRTLPSASPSPGYLGRGAQPPLELCAYPEWKSGALLSLPEPPGRRGRLDSGPLFTFKLLGEPESPGTEGDASNGGCDATTDLANGQPGFKSNMPLAPGHF
UniProt	P18841
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	CHEMBL3122
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	SB 242084
Molecular formula	C21H19ClN4O2
IUPAC name	6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide
Molecular weight	394.859
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.8
Synonyms	BCP07316 EX-A2270 S-7715 6-chloro-5-methyl-1-((2-(2-methylpyrid-3-yloxy)pyrid-5-yl)carbamoyl)indoline AB0089377 L000542 SB-242,084 AKOS032945733 D00EMF PDSP1_001569 SCHEMBL507945 1H-Indole-1-carboxamide, 6-chloro-2,3-dihydro-5-methyl-N-(6-((2-methyl-3-pyridinyl)oxy)-3-pyridinyl)- BDBM85097 GTPL193 6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide AC1MUPO0 CHEMBL14563 NCGC00186029-01 SB-242084 1215566-78-1 API0006977 DTXSID70394600 PDSP2_001553 ZINC602170 6-Chloro-2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-1-carboxamide Dihydrochloride Hydrate CAS_181632-25-7 HY-13409 SB 242084 hydrochloride AJ-23679 CS-4329 NCGC00186029-02 SB242084 [ Show all ]
Inchi Key	GIUZEIJUFOPTMR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H19ClN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27)
PubChem CID	3644637
ChEMBL	CHEMBL14563
IUPHAR	193
BindingDB	85097
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	<10000.0 nM	PMID9225286	BindingDB

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