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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-1A adrenergic receptor
Species	Bos taurus (Bovine)
Gene	ADRA1A
Synonym	Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVFLSGNASDSSNCTHPPPPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNVWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQKRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLTIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAQVGGSGVTSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFRPSETVFKIAFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRKQSSKHTLGYTLHAPSHVLEGQHKDLVRIPVGSAETFYKISKTDGVCEWKIFSSLPRGSARMAVARDPSACTTARVRSKSFLQVCCCLGPSTPSHGENHQIPTIKIHTISLSENGEEV
UniProt	P18130
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	CHEMBL4892
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	1-(3,5-dichloropyridin-2-yl)piperazine
Molecular formula	C9H11Cl2N3
IUPAC name	1-(3,5-dichloropyridin-2-yl)piperazine
Molecular weight	232.108
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.9
Synonyms	BDBM50027016 FT-0709772 ST50407755 1-(3,5-DICHLORO-2-PYRIDINYL)PIPERAZINE AC1Q3I74 CHEMBL50016 KS-00001KMO Z199468154 1-(3,5-Dichloro-pyridin-2-yl)-piperazine AKOS000132509 DTXSID00377941 Piperazine, 1-(3,5-dichloro-2-pyridinyl)- (3,5-dichloro-2-pyridyl)piperazine 87394-60-3 BOJIHPXIMSXHDU-UHFFFAOYSA-N H8389 STK893708 1-(3,5-Dichloro-2-pyridyl)piperazine AC1Q3KOY CTK5F8320 MCULE-9347295695 ZINC19015156 BBL021002 EN300-43901 SCHEMBL1736748 1-(3,5-DICHLORO(PYRIDIN-2-YL))PIPERAZINE AC1MCJY9 KB-213552 TR-027347 1-(3,5-Dichloro-2-pyridyl)piperazine, 97% ACMC-20apc0 DB-030495 MolPort-000-148-333 [ Show all ]
Inchi Key	BOJIHPXIMSXHDU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H11Cl2N3/c10-7-5-8(11)9(13-6-7)14-3-1-12-2-4-14/h5-6,12H,1-4H2
PubChem CID	2771431
ChEMBL	CHEMBL50016
IUPHAR	N/A
BindingDB	50027016
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	800.0 nM	PMID6139479	BindingDB,ChEMBL

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