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GLASS

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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	CHEMBL114303
Molecular formula	C28H36N6O
IUPAC name	4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-ol
Molecular weight	472.637
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.5
Synonyms	1-[3-[5-(4H-1,2,4-Triazole-4-yl)-1H-indole-3-yl]propyl]-4-[2-methylbenzyl(methyl)aminomethyl]piperidine-4-ol BDBM50083667 SCHEMBL4352790 4-{[Methyl-(2-methyl-benzyl)-amino]-methyl}-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ol
Inchi Key	AOXWFPMGOREYLC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H36N6O/c1-22-6-3-4-7-24(22)18-32(2)19-28(35)11-14-33(15-12-28)13-5-8-23-17-29-27-10-9-25(16-26(23)27)34-20-30-31-21-34/h3-4,6-7,9-10,16-17,20-21,29,35H,5,8,11-15,18-19H2,1-2H3
PubChem CID	44341609
ChEMBL	CHEMBL114303
IUPHAR	N/A
BindingDB	50083667
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	90.0 %	PMID10612601	ChEMBL
ED50	3.7 nM	PMID10612601	ChEMBL
IC50	1.3 nM	PMID10612601	BindingDB,ChEMBL

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