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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	SCHEMBL3787910
Molecular formula	C28H29N5O2
IUPAC name	N-(1-pyridin-2-ylcyclopropyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight	467.573
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.6
Synonyms	US8859534, 27 CHEMBL3647285 BDBM136341
Inchi Key	KHASMTXBVQUBQG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H29N5O2/c34-27(31-28(11-12-28)25-9-2-4-14-30-25)24-20-21-6-5-8-23(26(21)35-24)33-18-16-32(17-19-33)15-10-22-7-1-3-13-29-22/h1-9,13-14,20H,10-12,15-19H2,(H,31,34)
PubChem CID	59636769
ChEMBL	CHEMBL3647285
IUPHAR	N/A
BindingDB	136341
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	35.0 nM	, None	BindingDB,ChEMBL

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