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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	CHEMBL423212
Molecular formula	C24H30N6S
IUPAC name	N-methyl-N-(thiophen-2-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
Molecular weight	434.606
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.7
Synonyms	SCHEMBL7480186 BDBM50083089 Methyl-thiophen-2-ylmethyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amine
Inchi Key	BCMVUEDKNGBXFR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H30N6S/c1-28(16-22-5-3-13-31-22)20-8-11-29(12-9-20)10-2-4-19-15-25-24-7-6-21(14-23(19)24)30-17-26-27-18-30/h3,5-7,13-15,17-18,20,25H,2,4,8-12,16H2,1H3
PubChem CID	10717709
ChEMBL	CHEMBL423212
IUPHAR	N/A
BindingDB	50083089
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	3.5 nM	PMID10585208	BindingDB,ChEMBL
Efficacy	81.0 %	PMID10585208	ChEMBL
IC50	4.3 nM	PMID10585208	BindingDB,ChEMBL

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