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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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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-(2-Pyridyl)piperazine
Molecular formula	C9H13N3
IUPAC name	1-pyridin-2-ylpiperazine
Molecular weight	163.224
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.7
Synonyms	SC-17771 1-pyridin-2-ylpiperazine VP70111 4-(2-pyridinyl)piperazine AB00623 AKOS000266171 BRD-K72135511-001-01-2 DTXSID90188341 KSC223S9P n-pyridin-2-ylpiperazine 1-(2-pyridinyl)-piperazine PubChem20947 1-(pyridin-2-yl)-piperazine ST2403281 2-piperazinylpyridine ZINC19014810 4-pyridin-2-yl-piperazine AC1Q4X4D BB 0218368 CHEMBL18094 FT-0605567 MFCD00006216 NSC137781 1-(2-pyridinyl)piperazine hydrochloride pyridylpiperazine RTC-061197 1-pyridin-2-yl piperazine TRA0055870 2-pyridylpiperazine A6107 ACT09575 BDBM50026634 D07JMN KB-13236 N-(2-pyridyl)piperazine (pyridin-2-yl)piperazine Piperazine, 1-(2-pyridinyl)- 1-(2-Pyridyl) piperizine SCHEMBL7900 2-(1-Piperazinyl)pyridine W-6185 4-(2-pyridyl)piperazine AC1L3S9I AM62509 C3274 EINECS 252-220-3 LF-0569 NSC 137781 1-(2-Pyridinyl)piperazine pyridinylpiperazine 1-(2-Pyridyl)piperazine, 98% 1-(pyridin-2-yl)piperazine STK796767 2-Piperizinopyridine ACMC-1BN8C BBL004907 CS-W001990 GZRKXKUVVPSREJ-UHFFFAOYSA-N MolPort-000-006-262 P1033 1-(2-pyridinyl)piperazinehydrochloride Q-102292 SBB006445 1-Pyridin-2-yl-piperazine UNII-5IO1HZP7ZN 34803-66-2 AB0006240 AJ-70719 BIDD:GT0511 DB-027248 KS-00000VA3 N-(pyridin-2-yl)piperazine 1-(2-pyridinyl) piperazine PubChem14570 1-(2-pyridyl)-piperazine ST057603 2-(Piperazin-1-yl)pyridine WT81540 4-(pyridin-2-yl)-piperazine AC1Q1I4X ANW-27973 F2169-0995 MCULE-5488412150 NSC-137781 1-(2-Pyridinyl)piperazine # pyridyl piperazine 1-(2-Pyridyl)piperazine, >=99% 1-(pyridine-2-yl)piperazine TC-061197 2-pyridyl-piperazine 5IO1HZP7ZN ACN-S003821 BC204455 CTK1C3997 I02-0377 N-(2-pyridyl) piperazine (2-pyridyl) piperazine P67435 1-(2-pyridyl) piperazine Q980 [ Show all ]
Inchi Key	GZRKXKUVVPSREJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2
PubChem CID	94459
ChEMBL	CHEMBL18094
IUPHAR	N/A
BindingDB	50026634
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	2400.0 nM	PMID6139479, PMID6088770	BindingDB,ChEMBL

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