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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	CHEMBL314213
Molecular formula	C17H19N5O2
IUPAC name	3-[2-(dimethylamino)ethyl]-N-(3-nitropyridin-2-yl)-1H-indol-5-amine
Molecular weight	325.372
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.5
Synonyms	SCHEMBL7841509 3-(2-Dimethylaminoethyl)-5-(3-nitropyrid-2-ylamino)-1H-indole SZQUYNBBTURBHB-UHFFFAOYSA-N BDBM50039565 L009003 5-[(3-Nitro-2-pyridinyl)amino]-N,N-dimethyl 1H-indole-3-(ethanamine) [3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-(3-nitro-pyridin-2-yl)-amine [ Show all ]
Inchi Key	SZQUYNBBTURBHB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N5O2/c1-21(2)9-7-12-11-19-15-6-5-13(10-14(12)15)20-17-16(22(23)24)4-3-8-18-17/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,18,20)
PubChem CID	10381677
ChEMBL	CHEMBL314213
IUPHAR	N/A
BindingDB	50039565
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	10.0 nM	PMID8057297	BindingDB,ChEMBL

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