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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 1A
Species	Mus musculus (Mouse)
Gene	Htr1a
Synonym	5-HT-1A Gpcr18 ADRBRL1 ADRB2RL1 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A receptor 5-HT1A Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	421
Amino acid sequence	MDMFSLGQGNNTTTSLEPFGTGGNDTGLSNVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSNPNECTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKKGAGTSFGTSSAPPPKKSLNGQPGSGDCRRSAENRAVGTPCANGAVRQGEDDATLEVIEVHRVGNSKGHLPLPSESGATSYVPACLERKNERTAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPELLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCR
UniProt	Q64264
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	CHEMBL3737
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL338310
Molecular formula	C21H26N2O
IUPAC name	5-(1H-indol-3-yl)-6-piperidin-1-ylbicyclo[2.2.2]octan-2-one
Molecular weight	322.452
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.5
Synonyms	BDBM50012981 5-(1H-Indol-3-yl)-6-piperidin-1-yl-bicyclo[2.2.2]octan-2-one
Inchi Key	SQIRNABIBUHYJX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26N2O/c24-19-12-14-8-9-16(19)21(23-10-4-1-5-11-23)20(14)17-13-22-18-7-3-2-6-15(17)18/h2-3,6-7,13-14,16,20-22H,1,4-5,8-12H2
PubChem CID	44351485
ChEMBL	CHEMBL338310
IUPHAR	N/A
BindingDB	50012981
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Hill coefficient	0.88 -	PMID2136918	ChEMBL
Hill coefficient	1.2 -	PMID2136918	ChEMBL
IC50	86000.0 nM	PMID2136918	BindingDB,ChEMBL
IC50	160000.0 nM	PMID2136918	ChEMBL
Ki	61000.0 nM	PMID2136918	ChEMBL
Ki	115000.0 nM	PMID2136918	BindingDB,ChEMBL

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