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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	CHEMBL143952
Molecular formula	C25H30N6O2S
IUPAC name	N-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]methyl]benzenesulfonamide
Molecular weight	478.615
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.3
Synonyms	BDBM50083132 N-{1-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylmethyl}-benzenesulfonamide
Inchi Key	APHNHZGDIUOAHB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H30N6O2S/c32-34(33,23-6-2-1-3-7-23)29-16-20-10-13-30(14-11-20)12-4-5-21-17-26-25-9-8-22(15-24(21)25)31-18-27-28-19-31/h1-3,6-9,15,17-20,26,29H,4-5,10-14,16H2
PubChem CID	10719448
ChEMBL	CHEMBL143952
IUPHAR	N/A
BindingDB	50083132
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	12.0 nM	PMID10585208	BindingDB,ChEMBL
Efficacy	73.0 %	PMID10585208	ChEMBL
IC50	6.2 nM	PMID10585208	BindingDB,ChEMBL

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