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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	CHEMBL128329
Molecular formula	C20H24N2O
IUPAC name	5-(1H-indol-3-yl)-6-pyrrolidin-1-ylbicyclo[2.2.2]octan-2-one
Molecular weight	308.425
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.1
Synonyms	5-(1H-Indol-3-yl)-6-pyrrolidin-1-yl-bicyclo[2.2.2]octan-2-one BDBM50012980
Inchi Key	MNUMPEVJOGZKBX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24N2O/c23-18-11-13-7-8-15(18)20(22-9-3-4-10-22)19(13)16-12-21-17-6-2-1-5-14(16)17/h1-2,5-6,12-13,15,19-21H,3-4,7-11H2
PubChem CID	44351463
ChEMBL	CHEMBL128329
IUPHAR	N/A
BindingDB	50012980
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	0.47 -	PMID2136918	ChEMBL
Hill coefficient	0.95 -	PMID2136918	ChEMBL
IC50	46000.0 nM	PMID2136918	ChEMBL
IC50	53000.0 nM	PMID2136918	BindingDB,ChEMBL
Ki	32000.0 nM	PMID2136918	BindingDB,ChEMBL

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