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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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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	CHEMBL28178
Molecular formula	C16H15F3N4
IUPAC name	4-piperazin-1-yl-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
Molecular weight	320.319
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.5
Synonyms	4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline(desmethyl-CGS-12066B) BDBM50015710 4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline 7-Trifluoromethyl-4-(1-piperazinyl)pyrrolo[1,2-a]quinoxaline
Inchi Key	BLPNNGLJLMTUHN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
PubChem CID	10805623
ChEMBL	CHEMBL28178
IUPHAR	N/A
BindingDB	50015710
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	21.0 nM	PMID2374139	BindingDB,ChEMBL

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