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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 4
Species	Cavia porcellus (Guinea pig)
Gene	HTR4
Synonym	5-HT-4 5-HT4 Serotonin receptor 4
Disease	N/A for non-human GPCRs
Length	388
Amino acid sequence	MDKLDANVSSKEGFGSVEKVVLLTFLSAVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWVYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPMFISFLPIMQGWNNIGIVDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHARQIQVLQRAGAPAEGRPQPADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQLWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDTVECGGQWESQCHPAASSPLVAAQPIDT
UniProt	O70528
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	CHEMBL5017
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL8197
Molecular formula	C17H20N2O2
IUPAC name	(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate
Molecular weight	284.359
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	ACMC-20mr3z BDBM50007871 CTK0C2558 L000605 NCGC00162379-01 STL257062 AN-15510 BRD-A83859836-001-01-4 HMS1397L12 MLS000055682 Oprea1_655173 VA11915 1H-Indole-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester AB00420704_13 BCP27620 CHEBI:91913 ICS 205-930 NCGC00015984-03 SCHEMBL8946882 1H-Indole-3-carboxylic acid, endo-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester AC1Q625H AKOS000573788 Biomol-NT_000158 D0O5CR Lopac0_001253 NCGC00162379-02 TA1-RTA 124583-47-7 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate BAS 01059550 BRD-A83859836-003-02-8 HMS2494I19 MolPort-001-903-627 REGID_for_CID_5595 ZNRGQMMCGHDTEI-UHFFFAOYSA-N 1H-Indole-3-carboxylic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo- AB1004880 ACMC-20bn7f BCPP000032 J-525142 NCGC00015984-05 SMR000060690 (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1H-indole-3-carboxylate 4CA-1284 AKOS022111472 BPBio1_000618 Enamine_001310 MCULE-8015780530 Oprea1_462281 Tox21 110272 156-45-6 89565-68-4 BBL033991 CCG-205327 I14-10650 NCGC00015984-02 SCHEMBL463128 1H-Indole-3-carboxylic acid, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester AC1L1KP5 [ Show all ]
Inchi Key	ZNRGQMMCGHDTEI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
PubChem CID	5595
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50007871
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	63.09 nM	PMID7984267, PMID8358562, PMID8867105	PDSP,BindingDB
Ki	199.52 nM	PMID9349523	PDSP,BindingDB
Ki	540.0 nM	http://molpharm.aspetjournals.org/cgi/content/abstract/37/3/408	PDSP

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