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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	Rattus norvegicus (Rat)
Gene	Htr1d
Synonym	5-HT1D receptor HTRL Htr1db HT1DA Gpcr14 5-HT-1D 5-HT1D 5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled 5-HT1Dalpha Serotonin receptor 1D [ Show all ]
Disease	N/A for non-human GPCRs
Length	374
Amino acid sequence	MSLPNQSLEGLPQEASNRSLNATGAWDPEVLQALRISLVVVLSIITLATVLSNAFVLTTILLTKKLHTPANYLIGSLATTDLLVSILVMPISIAYTTTRTWNFGQILCDIWVSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAAAMIAAVWAISICISIPPLFWRQATAHEEMSDCLVNTSQISYTIYSTCGAFYIPSILLIILYGRIYVAARSRILNPPSLYGKRFTTAQLITGSAGSSLCSLNPSLHESHTHTVGSPLFFNQVKIKLADSILERKRISAARERKATKTLGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPVIYTVFNEDFRQAFQRVVHFRKAS
UniProt	P28565
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5450
IUPHAR	3
DrugBank	N/A

Ligand

Name	CHEMBL84942
Molecular formula	C18H19N5O2
IUPAC name	3-(1-methylpyrrolidin-3-yl)-N-(3-nitropyridin-2-yl)-1H-indol-5-amine
Molecular weight	337.383
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.5
Synonyms	[3-(1-Methyl-pyrrolidin-3-yl)-1H-indol-5-yl]-(3-nitro-pyridin-2-yl)-amine BDBM50039567 3-(1-methylpyrrolidin-3-yl)-N-(3-nitropyridin-2-yl)-1H-indol-5-amine CP 124439 L009007 156499-23-9 3-(N-Methylpyrrolidin-3-yl)-5-((3-nitropyrid-2-yl)amino)indole CP-124,439 AC1NUSV2 SCHEMBL7844792 3-(1-Methylpyrrolidin-3-yl)-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine 3-(N-Methylpyrrolidin-3-yl)-5-(3-nitropyrid-2-ylamino)-1H-indole GKTWNPQNDWIPDK-UHFFFAOYSA-N [ Show all ]
Inchi Key	GKTWNPQNDWIPDK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19N5O2/c1-22-8-6-12(11-22)15-10-20-16-5-4-13(9-14(15)16)21-18-17(23(24)25)3-2-7-19-18/h2-5,7,9-10,12,20H,6,8,11H2,1H3,(H,19,21)
PubChem CID	5492087
ChEMBL	CHEMBL84942
IUPHAR	N/A
BindingDB	50039567
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	2.0 nM	PMID8057297	BindingDB,ChEMBL
IC50	15.0 nM	PMID8057297	BindingDB,ChEMBL

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