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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	87394-56-7
Molecular formula	C9H12BrN3
IUPAC name	1-(3-bromopyridin-2-yl)piperazine
Molecular weight	242.12
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.3
Synonyms	BDBM50027013 KB-30175 AJ-83252 CTK5F8318 SCHEMBL2415357 B-4327 FT-0739728 ZINC26898957 1-(3-Bromopyridin-2-yl)piperazine KYMBSIUPQJYAFF-UHFFFAOYSA-N AKOS010630963 DA-17786 TR-027345 1-(3-BROMO(PYRIDIN-2-YL))PIPERAZINE B67493 I02-3158 3-Bromo-2-piperazinopyridine ACMC-209qk6 CHEMBL295921 Piperazine, 1-(3-bromo-2-pyridinyl)- ANW-38692 DTXSID60535565 V8425 1-(3-Bromo-pyridin-2-yl)-piperazine [ Show all ]
Inchi Key	KYMBSIUPQJYAFF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12BrN3/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
PubChem CID	13298529
ChEMBL	CHEMBL295921
IUPHAR	N/A
BindingDB	50027013
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	1480.0 nM	PMID6139479	BindingDB,ChEMBL

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