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GLASS

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

Name	5-hydroxytryptamine receptor 2B
Species	Rattus norvegicus (Rat)
Gene	Htr2b
Synonym	stomach fundus serotonin receptor serotonin receptor 2B 5-HT-2B 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled 5-HT2F 5-HT2B receptor 5-HT2B 5-HT-2F {ECO:0000303\|PubMed:1331748} Stomach fundus serotonin receptor {ECO:0000303\|PubMed:1505525} [ Show all ]
Disease	N/A for non-human GPCRs
Length	479
Amino acid sequence	MASSYKMSEQSTISEHILQKTCDHLILTDRSGLKAESAAEEMKQTAENQGNTVHWAALLIFAVIIPTIGGNILVILAVSLEKRLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEATWPLPLALCPAWLFLDVLFSTASIMHLCAISLDRYIAIKKPIQANQCNSRTTAFVKITVVWLISIGIAIPVPIKGIEADVVNAHNITCELTKDRFGSFMLFGSLAAFFAPLTIMIVTYFLTIHALRKKAYLVRNRPPQRLTRWTVSTVLQREDSSFSSPEKMVMLDGSHKDKILPNSTDETLMRRMSSAGKKPAQTISNEQRASKVLGIVFLFFLLMWCPFFITNVTLALCDSCNQTTLKTLLQIFVWVGYVSSGVNPLIYTLFNKTFREAFGRYITCNYQATKSVKVLRKCSSTLYFGNSMVENSKFFTKHGIRNGINPAMYQSPVRLRSSTIQSSSIILLNTFLTENDGDKVEDQVSYI
UniProt	P30994
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	CHEMBL323
IUPHAR	7
DrugBank	N/A

Ligand

Name	79440-52-1
Molecular formula	C12H19NO2S
IUPAC name	1-(2,4-dimethoxy-5-methylsulfanylphenyl)propan-2-amine
Molecular weight	241.349
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.2
Synonyms	Benzeneethanamine,2,4-dimethoxy-a-methyl-5-(methylthio)-,hydrochloride (1:1) 8A89CW1FXK CTK5D0529 1-(2,4-dimethoxy-5-methylsulfanylphenyl)propan-2-amine BDBM50404656 SCHEMBL5298660 69587-03-7 Benzeneethanamine, 5-methylthio-.alpha.-methyl, 2,4-dimethoxy- AC1L3Q4X KB-212633 2,4-Dimethoxy-alpha-methyl-5-(methylthio)benzeneethanamine Benzeneethanamine, 2,4-dimethoxy-5-methylthio-alpha-methyl- UNII-8A89CW1FXK Benzeneethanamine,2,4-dimethoxy-5-methylthio-.alpha.-methyl CHEMBL31787 AC1Q496L Meta-DOT Benzeneethanamine, 2,4-dimethoxy-alpha-methyl-5-(methylthio)- [ Show all ]
Inchi Key	BEMIKIUJWHLJTP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H19NO2S/c1-8(13)5-9-6-12(16-4)11(15-3)7-10(9)14-2/h6-8H,5,13H2,1-4H3
PubChem CID	144891
ChEMBL	CHEMBL31787
IUPHAR	N/A
BindingDB	50404656
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	1698.24 nM	PMID7310818	BindingDB,ChEMBL

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