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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	1-(3-chloropyridin-2-yl)piperazine
Molecular formula	C9H12ClN3
IUPAC name	1-(3-chloropyridin-2-yl)piperazine
Molecular weight	197.666
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.3
Synonyms	DTXSID80465057 n(3-chloropyridin-2-yl)-piperazine ZINC19015148 87394-55-6 AM87312 C67427 J-503132 RP25561 1-(3-CHLORO-2-PYRIDYL)PIPERAZINE AC-22847 CTK5F8317 MFCD08061034 TR-027344 394C556 AJ-70727 FT-0687552 N-(3-chloropyridin-2-yl)-piperazine (3-chloro-2-pyridyl)piperazine A10398 AN-35464 KB-08702 SCHEMBL234597 1-(3-Chloro-pyridin-2-yl)-piperazine AC1Q3HSD DB-076939 MolPort-000-002-930 Y-3652 AKOS000126062 BDBM50027019 HLCPXCHNWZGOMT-UHFFFAOYSA-N Piperazine,1-(3-chloro-2-pyridinyl)- 1-(3-chloro-2-pyridinyl)piperazine AB01002593-01 CHEMBL298004 MCULE-9750659048 ST50407737 ACMC-20apbr [ Show all ]
Inchi Key	HLCPXCHNWZGOMT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H12ClN3/c10-8-2-1-3-12-9(8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
PubChem CID	11412944
ChEMBL	CHEMBL298004
IUPHAR	N/A
BindingDB	50027019
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	1800.0 nM	PMID6139479	BindingDB,ChEMBL

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