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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	CHEMBL52612
Molecular formula	C20H22N4
IUPAC name	1-benzyl-4-(3-pyrrol-1-ylpyridin-2-yl)piperazine
Molecular weight	318.424
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.0
Synonyms	BDBM50408173 2-(4-Benzylpiperazino)-3-(1H-pyrrol-1-yl)pyridine
Inchi Key	FMWXWOAWFBYPCO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N4/c1-2-7-18(8-3-1)17-22-13-15-24(16-14-22)20-19(9-6-10-21-20)23-11-4-5-12-23/h1-12H,13-17H2
PubChem CID	10519608
ChEMBL	CHEMBL52612
IUPHAR	N/A
BindingDB	50408173
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	26302.7 nM	PMID9191957	BindingDB,ChEMBL

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