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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 1D
Species	Homo sapiens (Human)
Gene	HTR1D
Synonym	Serotonin 1D alpha receptor serotonin receptor 1D HTRL Htr1db 5-HT-1D 5-HT-1D-alpha 5-HT1D 5-HT1D receptor 5-HT1Dalpha 5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled Gpcr14 HT1DA [ Show all ]
Disease	Acute migraine Epilepsy Migraine headaches Mood disorder Migraine Major depressive disorder Severe mood disorders [ Show all ]
Length	377
Amino acid sequence	MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS
UniProt	P28221
Protein Data Bank	N/A
GPCR-HGmod model	P28221
3D structure model	This predicted structure model is from GPCR-EXP P28221.
BioLiP	N/A
Therapeutic Target Database	T11072
ChEMBL	CHEMBL1983
IUPHAR	3
DrugBank	BE0000659

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	190.0 nM	PMID2374139	BindingDB,ChEMBL

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