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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.
Go to the ligand page and check other GPCRs which it interacts with.
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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	SCHEMBL931086
Molecular formula	C22H25BrN4O2
IUPAC name	4-bromo-N,N-dimethyl-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight	457.372
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.7
Synonyms	4-Bromo-N,N-dimethyl-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide US8859534, 53 BDBM136367 CHEMBL3650046 BTFWJDZGWBIYQQ-UHFFFAOYSA-N
Inchi Key	BTFWJDZGWBIYQQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25BrN4O2/c1-25(2)22(28)20-15-17-18(23)6-7-19(21(17)29-20)27-13-11-26(12-14-27)10-8-16-5-3-4-9-24-16/h3-7,9,15H,8,10-14H2,1-2H3
PubChem CID	59636718
ChEMBL	CHEMBL3650046
IUPHAR	N/A
BindingDB	136367
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	11.0 nM	, None	BindingDB,ChEMBL

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