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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	CHEMBL333341
Molecular formula	C27H34N6
IUPAC name	N-benzyl-N-methyl-1-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]methanamine
Molecular weight	442.611
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.1
Synonyms	BDBM50060422 Benzyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylmethyl}-amine N-Methyl-N-benzyl-1-[3-[5-(4H-1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidine-4-(methanamine)
Inchi Key	ARJKYPLGKHVBPE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H34N6/c1-31(18-22-6-3-2-4-7-22)19-23-11-14-32(15-12-23)13-5-8-24-17-28-27-10-9-25(16-26(24)27)33-20-29-30-21-33/h2-4,6-7,9-10,16-17,20-21,23,28H,5,8,11-15,18-19H2,1H3
PubChem CID	10765655
ChEMBL	CHEMBL333341
IUPHAR	N/A
BindingDB	50060422
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	0.9 nM	PMID10585208, PMID9357514	BindingDB,ChEMBL
Efficacy	93.0 %	PMID10585208	ChEMBL
IC50	0.9 nM	PMID10585208	BindingDB,ChEMBL
IC50	0.95 nM	PMID9357514	BindingDB
IC50	0.95 nM	PMID9357514	ChEMBL

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