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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-fluoropyridin-2-yl)piperazine
Molecular formula	C9H12FN3
IUPAC name	1-(3-fluoropyridin-2-yl)piperazine
Molecular weight	181.214
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	0.8
Synonyms	1-(3-fluoro-2-pyridyl)piperazine 85386-84-1 CTK3E8302 MolPort-000-003-909 1-(3-Fluoropyridin-2-yl);piperazine AJ-83250 HPYRNHPSWLCJKD-UHFFFAOYSA-N PIPERAZINE, 1-(3-FLUORO-2-PYRIDINYL)- (9CI) 1-(3-Fluoro-2-pyridinyl)-piperazine 3247AC L-644,763 1-(3-Fluoro-pyridin-2-yl)-piperazine AC1L35M8 DTXSID70234552 NE54294 AKOS012026612 KB-213836 SCHEMBL1758382 1-(3-Fluoro-2-pyridinyl)piperazine CHEMBL48833 MCULE-4183578711 1-(3-fluoro-pyridin-2-yl)piperazine AC1Q4N8J F67420 Piperazine, 1-(3-fluoro-2-pyridinyl)- 1-(3-FLUORO(PYRIDIN-2-YL))PIPERAZINE 1-FPP BDBM50027024 L-644 ZINC6092219 [ Show all ]
Inchi Key	HPYRNHPSWLCJKD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12FN3/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
PubChem CID	134987
ChEMBL	CHEMBL48833
IUPHAR	N/A
BindingDB	50027024
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	2500.0 nM	PMID6139479	BindingDB,ChEMBL

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