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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	2-(Piperazin-1-yl)pyridin-3-amine
Molecular formula	C9H14N4
IUPAC name	2-piperazin-1-ylpyridin-3-amine
Molecular weight	178.239
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	0.0
Synonyms	KZZRPCPYROZNOE-UHFFFAOYSA-N 3-Pyridinamine,2-(1-piperazinyl)- CTK5F8321 F2113-0207 RP23979 87394-62-5 KB-105695 2-piperazin-1-ylpyridin-3-amine MolPort-000-006-240 1-(3-amino-2-pyridyl)piperazine 3-Pyridinamine,2-(1-piperazinyl)-(9CI) DB-076940 FT-0687907 SCHEMBL8415184 2-(Piperazin-1-yl)pyridin-3-amine, 97% AKOS005208321 KS-00001KME 3-amino-2-(1-piperazinyl)pyridine CHEMBL45665 DTXSID20439196 P67412 1-(3-amino-pyridin-2-yl)-piperazine J-506534 ZINC11919546 2-Piperazin-1-yl-pyridin-3-ylamine BDBM50027017 [ Show all ]
Inchi Key	KZZRPCPYROZNOE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H14N4/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7,10H2
PubChem CID	10397358
ChEMBL	CHEMBL45665
IUPHAR	N/A
BindingDB	50027017
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	31000.0 nM	PMID6139479	BindingDB,ChEMBL

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