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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	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	SCHEMBL931803
Molecular formula	C27H26N6O2
IUPAC name	N-[(6-cyanopyridin-3-yl)methyl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight	466.545
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.3
Synonyms	US8859534, 20 CHEMBL3647278 BDBM136334
Inchi Key	AUKYRYHMNPCTOO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H26N6O2/c28-17-23-8-7-20(18-30-23)19-31-27(34)25-16-21-4-3-6-24(26(21)35-25)33-14-12-32(13-15-33)11-9-22-5-1-2-10-29-22/h1-8,10,16,18H,9,11-15,19H2,(H,31,34)
PubChem CID	59636713
ChEMBL	CHEMBL3647278
IUPHAR	N/A
BindingDB	136334
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	7.6 nM	, None	BindingDB,ChEMBL

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