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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL84107
Molecular formula	C18H19N5O2
IUPAC name	N-(3-nitropyridin-2-yl)-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-amine
Molecular weight	337.383
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.6
Synonyms	(R)-5-(3-Nitropyrid-2-ylamino)-3-(pyrrolidin-2-ylmethyl)-1H-indole BDBM50039566 QGSFFVWTEIOHEG-CYBMUJFWSA-N 3-[[(R)-Pyrrolidin-2-yl]methyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine (3-Nitro-pyridin-2-yl)-(3-(R)-1-pyrrolidin-2-ylmethyl-1H-indol-5-yl)-amine SCHEMBL7841516 [ Show all ]
Inchi Key	QGSFFVWTEIOHEG-CYBMUJFWSA-N
Inchi ID	InChI=1S/C18H19N5O2/c24-23(25)17-4-2-8-20-18(17)22-14-5-6-16-15(10-14)12(11-21-16)9-13-3-1-7-19-13/h2,4-6,8,10-11,13,19,21H,1,3,7,9H2,(H,20,22)/t13-/m1/s1
PubChem CID	10427186
ChEMBL	CHEMBL84107
IUPHAR	N/A
BindingDB	50039566
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	1.3 nM	PMID8057297	BindingDB,ChEMBL
IC50	6.2 nM	PMID8057297	BindingDB,ChEMBL

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