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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	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	CHEMBL63845
Molecular formula	C20H17F3N4S
IUPAC name	8-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
Molecular weight	402.439
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.8
Synonyms	BDBM50407768 SCHEMBL7296642 5-[4-[3-(Trifluoromethyl)phenyl]piperazine-1-yl]-3-thia-4,8a-diaza-as-indacene
Inchi Key	HGYNWZFKHCMJGM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H17F3N4S/c21-20(22,23)14-3-1-4-15(13-14)25-8-10-26(11-9-25)18-16-5-2-7-27(16)17-6-12-28-19(17)24-18/h1-7,12-13H,8-11H2
PubChem CID	10573164
ChEMBL	CHEMBL63845
IUPHAR	N/A
BindingDB	50407768
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	7413.1 nM	PMID8642566	BindingDB,ChEMBL

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