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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	5-hydroxytryptamine receptor 1B
Species	Rattus norvegicus (Rat)
Gene	Htr1b
Synonym	HTR1D2 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled 5-HT1Dbeta 5-HT1DB 5-HT1B serotonin receptor 5-HT1B receptor 5-HT1B 5-HT-1B Serotonin receptor 1B [ Show all ]
Disease	N/A for non-human GPCRs
Length	386
Amino acid sequence	MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG
UniProt	P28564
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	CHEMBL3459
IUPHAR	2
DrugBank	N/A

Ligand

Name	CHEMBL50188
Molecular formula	C25H36N2O4
IUPAC name	8-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight	428.573
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.2
Synonyms	BDBM50036856 8-[3-[[(5-Methoxy-3,4-dihydro-2H-1-benzopyran)-3-yl]propylamino]propyl]-8-azaspiro[4.5]decane-7,9-dione 8-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propyl}-8-aza-spiro[4.5]decane-7,9-dione; compound with oxalic acid CHEMBL27650
Inchi Key	AGKVXTQIBHAKGE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H36N2O4/c1-3-12-26(19-15-20-21(30-2)8-6-9-22(20)31-18-19)13-7-14-27-23(28)16-25(17-24(27)29)10-4-5-11-25/h6,8-9,19H,3-5,7,10-18H2,1-2H3
PubChem CID	10252000
ChEMBL	CHEMBL27650
IUPHAR	N/A
BindingDB	50036856
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	20000.0 nM	PMID7912735	BindingDB

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