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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 1A
Species	Rattus norvegicus (Rat)
Gene	Htr1a
Synonym	5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A ADRB2RL1 ADRBRL1 5-HT-1A Gpcr18 Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	422
Amino acid sequence	MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProt	P19327
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	CHEMBL273
IUPHAR	1
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 7-Trifluoromethyl-4-(1-piperazinyl)pyrrolo[1,2-a]quinoxaline 4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline(desmethyl-CGS-12066B) BDBM50015710
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	37.0 nM	PMID2374139	BindingDB,ChEMBL
Ki	18.62 nM	PMID8568799	ChEMBL

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