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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.
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	87394-57-8
Molecular formula	C10H14ClN3
IUPAC name	1-(3-chloropyridin-2-yl)-4-methylpiperazine
Molecular weight	211.693
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.7
Synonyms	1-(3-chloro-2-pyridinyl)-4-methylpiperazine ACMC-209qk7 CHEMBL47415 SCHEMBL13722300 3-CHLORO-2-(4-METHYLPIPERAZIN-1-YL)PYRIDINE AN-584/43275038 DTXSID80474785 ZINC8700533 BDBM50027014 KB-30793 1-(3-Chloro-pyridin-2-yl)-4-methyl-piperazine AJ-74358 CTK5F8319 TR-027346 3-Chloro-2-(4-methylpiperazino)pyridine ANW-38693 FT-0762782 1-(3-chloro(2-pyridyl))-4-methylpiperazine AB42617 SBB094555 1-(3-Chloropyridin-2-yl)-4-methylpiperazine AKOS015848903 DA-19262 V8426 B-5288 I02-3402 [ Show all ]
Inchi Key	FNMDXKBBBVNQQT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H14ClN3/c1-13-5-7-14(8-6-13)10-9(11)3-2-4-12-10/h2-4H,5-8H2,1H3
PubChem CID	11959098
ChEMBL	CHEMBL47415
IUPHAR	N/A
BindingDB	50027014
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	215.0 nM	PMID6139479	BindingDB,ChEMBL

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