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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	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	Thioperamide
Molecular formula	C15H24N4S
IUPAC name	N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
Molecular weight	292.445
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.4
Synonyms	UNII-II4319BWUI 1-Piperidinecarbothioamide, N-cyclohexyl-4-(1H-imidazol-4-yl)- B6390 D05FYA Lopac0_001214 N-cyclohexyl-4-(3H-imidazol-4-yl)piperidine-1-carbothioamide NCGC00024704-01 QKDDJDBFONZGBW-UHFFFAOYSA-N C17933 GTPL1267 MolPort-023-275-907 NCGC00015988-02 Thioperamide maleate AKOS030228083 L000596 N-Cyclohexyl-4-(1H-imidazol-5-yl)-1-piperidinecarbothioamide NCGC00015988-05 ZINC13108134 106243-16-7 BDBM22914 DTXSID50147555 LS-114470 N-Cyclohexyl-4-(imidazol-4-yl)-1-piperidinecarbothioamide NCGC00024704-02 SCHEMBL2235762 AC1MI071 CCG-205288 II4319BWUI MR 12842 NCGC00015988-03 Tocris-0644 API0007635 CHEMBL260374 Lopac-T-123 N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide NCGC00015988-11 BRD-K63874012-103-01-5 FJZ MolPort-015-163-994 NCGC00015988-01 NCGC00024704-03 AKOS024458593 CHEBI:81391 KS-000001KM N-Cyclohexy-4-(imidazol-4-yl)-1-piperidinecarbothioamide NCGC00015988-04 [ Show all ]
Inchi Key	QKDDJDBFONZGBW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
PubChem CID	3035905
ChEMBL	CHEMBL260374
IUPHAR	1267
BindingDB	22914
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	<10000.0 nM	PMID8564266	BindingDB

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