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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.
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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	CHEMBL276928
Molecular formula	C27H31FN4O2
IUPAC name	4-(5-fluoro-1H-indol-3-yl)-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)piperidine-1-carboxamide
Molecular weight	462.569
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.9
Synonyms	N-[1'-Methylspiro[benzofuran-3(2H),4'-piperidine]-5-yl]-4-(5-fluoro-1H-indole-3-yl)piperidine-1-carboxamide 5-[4-(5-fluoro-1H-3-indolyl)hexahydro-1-pyridinylcarboxamido]-1''-methylspiro[2,3-dihydrobenzo[b]furan-3,4''-(hexahydropyridine)] BDBM50086115
Inchi Key	HIBNGDNAJQHLGU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H31FN4O2/c1-31-12-8-27(9-13-31)17-34-25-5-3-20(15-23(25)27)30-26(33)32-10-6-18(7-11-32)22-16-29-24-4-2-19(28)14-21(22)24/h2-5,14-16,18,29H,6-13,17H2,1H3,(H,30,33)
PubChem CID	10552023
ChEMBL	CHEMBL276928
IUPHAR	N/A
BindingDB	50086115
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	23.0 nM	PMID10737747	BindingDB,ChEMBL

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