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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
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	CHEMBL319
IUPHAR	22
DrugBank	N/A

Ligand

Name	UNII-3SH45L9H3Z
Molecular formula	C15H19IN4S
IUPAC name	3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate
Molecular weight	414.309
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.3
Synonyms	3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate CHEBI:92905 SCHEMBL13039517 AC1MHZWP DTXSID20273996 ZINC14979644 BRD-K51918615-303-01-1 NCGC00024785-02 3SH45L9H3Z Tocris-0779 BDBM22913 L000316 {[3-(1H-imidazol-5-yl)propyl]sulfanyl}-N''''-[2-(4-iodophenyl)ethyl]methanimidamide 3-(1H-Imidazol-5-yl)propyl N'-(2-(4-iodophenyl)ethyl)imidothiocarbamate Carbamimidothioic acid, [2-(4-iodophenyl)ethyl]-,3-(1H-imidazol-4-yl)propyl ester SCHEMBL114508 CHEMBL498770 145196-88-9 BDBM50170165 NCGC00024785-01 [ Show all ]
Inchi Key	UBHYDQAARZKHEZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
PubChem CID	3035746
ChEMBL	CHEMBL498770
IUPHAR	N/A
BindingDB	22913, 50170165
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	1500.0 nM	PMID8564266	BindingDB

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