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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	CHEMBL116153
Molecular formula	C25H28F2N6
IUPAC name	3-[3-[4-[2-(3,5-difluorophenyl)ethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
Molecular weight	450.538
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.8
Synonyms	3-(3-{4-[2-(3,5-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole BDBM50060439 L016155 3-[3-[4-(3,5-Difluorophenethyl)piperazino]propyl]-5-(4H-1,2,4-triazol-4-yl)-1H-indole SCHEMBL7474326
Inchi Key	BLVVWPOJELUFFG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H28F2N6/c26-21-12-19(13-22(27)14-21)5-7-32-10-8-31(9-11-32)6-1-2-20-16-28-25-4-3-23(15-24(20)25)33-17-29-30-18-33/h3-4,12-18,28H,1-2,5-11H2
PubChem CID	10503731
ChEMBL	CHEMBL116153
IUPHAR	N/A
BindingDB	50060439
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	PMID9357515	BindingDB,ChEMBL
Efficacy	86.0 %	PMID9357515	ChEMBL
IC50	0.7 nM	PMID9357515	ChEMBL
IC50	0.7 nM	PMID9357515	BindingDB

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