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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	Cavia porcellus (Guinea pig)
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	MVFLSGNASDSSNCTQPPAPVNIPKAILLGVILGVLILFGVPGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMSLCIISIDRYIGVSYPLRYPTIVTQRRGLRALLCLWALSLVISIGPLFGWRQPAPQDETICQINEDPSYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLTSGLKTDKSDSEQVTLRIHRKNAPLGGSGVASSKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLKIQCLRRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYKISKTDGVCEWKFFSSMPRGSARITVPKDQSACTTARVRSKSFLQVCCCVGPSTPNPGENHQVPTIKIHTISLSENGEEV
UniProt	Q9WU25
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	CHEMBL2150843
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Skf 104856
Molecular formula	C14H14ClNS
IUPAC name	7-chloro-2-ethenyl-11-methyl-3-thia-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
Molecular weight	263.783
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.2
Synonyms	138194-10-2 CHEMBL25467 SK&F 104856 L003521 Thieno(4,3,2-ef)(3)benzazepine, 7-chloro-2-ethenyl-3,4,5,6-tetrahydro-4-methyl- BDBM50030614 PDSP2_000844 2-Vinyl-7-chloro-3,4,5,6-tetrahydro-4-methylthieno(4,3,2ef)(3)benzazepine D0N7LZ SK&F-104856 SKF-104856 7-Chloro-2-ethenyl-3,4,5,6-tetrahydro-4-methylthieno(4,3,2-ef)(3)benzazepine PDSP1_000857 136427-58-2 SCHEMBL9376352 5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thia-8-aza-benzo[cd]azulene DTXSID60159785 SK-104856 skf104856 AC1L2PYH PDSP1_000858 [ Show all ]
Inchi Key	WKXSXFYQPCWZOS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3
PubChem CID	126225
ChEMBL	CHEMBL25467
IUPHAR	N/A
BindingDB	50030614
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	50.12 nM	PMID9653897	BindingDB
Ki	63.1 nM	PMID9653897	BindingDB
Ki	251.19 nM	PMID9653897	BindingDB

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