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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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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	CHEMBL357034
Molecular formula	C15H22N2
IUPAC name	2-(5-tert-butyl-1H-indol-3-yl)-N-methylethanamine
Molecular weight	230.355
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	3.2
Synonyms	5-tert-Butyl-3-[2-(methylamino)ethyl]-1H-indole [2-(5-tert-Butyl-1H-indol-3-yl)-ethyl]-methyl-amine BDBM50073688 SCHEMBL19971718 ZINC2005821 AKOS022799875 [ Show all ]
Inchi Key	BEPGJIBRVXQULF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H22N2/c1-15(2,3)12-5-6-14-13(9-12)11(10-17-14)7-8-16-4/h5-6,9-10,16-17H,7-8H2,1-4H3
PubChem CID	10376578
ChEMBL	CHEMBL357034
IUPHAR	N/A
BindingDB	50073688
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.22 nM	PMID9986723	BindingDB,ChEMBL
Emax	100.0 %	PMID9986723	ChEMBL
Ki	0.45 nM	PMID9986723	BindingDB,ChEMBL

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