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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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-nitropyridin-2-yl)piperazine
Molecular formula	C9H12N4O2
IUPAC name	1-(3-nitropyridin-2-yl)piperazine
Molecular weight	208.221
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	0.5
Synonyms	1-(3-Nitro-pyridin-2-yl)-piperazine ALBB-013082 CTK5F8315 MolPort-000-005-125 TR-027342 1-(3-nitropyridin-2-yl)piperazine dihydrochloride AC1MWRKB BBL022252 H8388 Piperazine,1-(3-nitro-2-pyridinyl)- ZINC6658183 (3-nitro-2-pyridyl)piperazine 2-Piperazino-3-nitropyridine AKOS000123163 CHEMBL296653 J-503171 SCHEMBL2898307 1-(3-nitro-2-pyridinyl)piperazine 1-(3-nitro-pyridin-2-yl)piperazine 87394-48-7 AN-35463 DTXSID50396304 N67400 Z-8288 1220AF AC1Q1Y3W BDBM50027020 HSAKGWZDXDRYTB-UHFFFAOYSA-N RP26416 1-(3--Nitro-2-pyridinyl)piperazine 394N487 AKOS015940997 CN-480 KB-105694 STK360702 1-(3-nitro-2-pyridyl)piperazine AB0153967 AS-9019 FT-0678152 piperazine, 1-(3-nitro-2-pyridinyl)-, dihydrochloride Z2255110741 2-(1-Piperazinyl)-3-nitropyridine AJ-74719 I13-391 SBB055736 1-(3-Nitorpyridin-2-yl)piperazine [ Show all ]
Inchi Key	HSAKGWZDXDRYTB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12N4O2/c14-13(15)8-2-1-3-11-9(8)12-6-4-10-5-7-12/h1-3,10H,4-7H2
PubChem CID	3778834
ChEMBL	CHEMBL296653
IUPHAR	N/A
BindingDB	50027020
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	3800.0 nM	PMID6139479	BindingDB,ChEMBL

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