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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	CGS 12066B
Molecular formula	C17H17F3N4
IUPAC name	4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
Molecular weight	334.346
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.0
Synonyms	4-(4-Methyl-1-piperazinyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline # BDBM81497 CGS 12066B-parent CHEMBL27403 Lopac0_000332 NCGC00024701-01 UNII-5TB4SXQ7HG 5TB4SXQ7HG BRD-K18909381-001-01-4 CGS-12066A maleate salt DTXSID3043730 NCGC00015180-01 NSC_123945 109028-09-3 Cgs 12066 CHEBI:64055 L000723 NCGC00015180-04 SCHEMBL1660466 4-(4-Methyl-piperazin-1-yl)-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline Biomol-NT_000089 CGS-12066 CTK6I3092 LS-187235 NCGC00024701-02 ZINC2516018 7-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-[1,2-a]quinoxaline maleate salt CAS_109028-10-6 CGS-12066B FT-0708356 NCGC00015180-02 Pyrrolo(1,2-a)quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)- 109028-10-6 AC1L1E8Q Lopac-C-106 NCGC00015180-05 Tocris-0638 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline BPBio1_001091 CGS-12066A D0Q1ER LXFHSCDLMBZYKY-UHFFFAOYSA-N NCGC00024701-03 7-trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo[1,2-a]quinoxaline CCG-204427 CGS12066 GTPL109 NCGC00015180-03 Pyrrolo[1,2-a]quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)- [ Show all ]
Inchi Key	LXFHSCDLMBZYKY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3
PubChem CID	2689
ChEMBL	CHEMBL27403
IUPHAR	109
BindingDB	81497
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	150.0 nM	PMID2374139	BindingDB,ChEMBL
IC50	338.84 nM	PMID8642566, PMID9191957	BindingDB,ChEMBL
Ki	7.41 nM	PMID7984267	BindingDB
Ki	32.0 nM	PMID1738111	BindingDB
Ki	109.64 nM	PMID7984267	BindingDB
Ki	147.91 nM	PMID7984267	BindingDB

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