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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	CHEMBL120055
Molecular formula	C23H28N4O2
IUPAC name	2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
Molecular weight	392.503
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.8
Synonyms	1-[4-[2-Methylphenyl]piperazin-1-yl]-2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]ethanone BDBM50033447 L011210 2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-o-tolyl-piperazin-1-yl)-ethanone
Inchi Key	DWSOZYFSYVOVOC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28N4O2/c1-17-4-2-3-5-22(17)26-10-12-27(13-11-26)23(28)16-29-19-6-7-21-20(14-19)18(8-9-24)15-25-21/h2-7,14-15,25H,8-13,16,24H2,1H3
PubChem CID	10385855
ChEMBL	CHEMBL120055
IUPHAR	N/A
BindingDB	50033447
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	0.6 nM	Bioorg. Med. Chem. Lett., (1995) 5:7:663	ChEMBL
EC50	0.6 nM	N/A	BindingDB
Ki	0.8 nM	PMID7658447	BindingDB
Ki	0.8 nM	PMID7658447	ChEMBL
Ki	0.87 nM	Bioorg. Med. Chem. Lett., (1995) 5:7:663	ChEMBL
Ki	0.87 nM	N/A	BindingDB
Ki	2.0 nM	N/A	BindingDB
Ki	2.08 nM	PMID7658447	ChEMBL
Ki	2.1 nM	, Bioorg. Med. Chem. Lett., (1995) 5:7:663, PMID7658447	BindingDB,ChEMBL

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