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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 1B
Species	Cricetulus griseus (Chinese hamster)
Gene	HTR1B
Synonym	5-HT-1B 5-HT1B Serotonin receptor 1B
Disease	N/A for non-human GPCRs
Length	386
Amino acid sequence	MEEQGIQCAPPPPAASQTGVPLVNLSHNCSAESHIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPVSTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVEYAAKRTPKRAAIMIALVWVFSISISLPPFFWRQAKAEEEVLTCLVNTDHVLYTVYSTGGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTTSVTSINSRAPDLPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMATLDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCAG
UniProt	P46636
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	CHEMBL3707466
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	SCHEMBL931714
Molecular formula	C24H29N5O3
IUPAC name	7-[4-[2-(5-acetamidopyridin-2-yl)ethyl]piperazin-1-yl]-N,N-dimethyl-1-benzofuran-2-carboxamide
Molecular weight	435.528
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.2
Synonyms	US8859534, 44 7-(4-(2-(5-Acetamidopyridin-2-yl)ethyl)piperazin-1-yl)-N,N-dimethylbenzofuran-2-carboxamide CHEMBL3650037 WJWJXULJOUOQIG-UHFFFAOYSA-N BDBM136358
Inchi Key	WJWJXULJOUOQIG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29N5O3/c1-17(30)26-20-8-7-19(25-16-20)9-10-28-11-13-29(14-12-28)21-6-4-5-18-15-22(32-23(18)21)24(31)27(2)3/h4-8,15-16H,9-14H2,1-3H3,(H,26,30)
PubChem CID	59636773
ChEMBL	CHEMBL3650037
IUPHAR	N/A
BindingDB	136358
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	20.0 nM	, None	BindingDB,ChEMBL

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