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GLASS

You can:

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	Rattus norvegicus (Rat)
Gene	Htr1a
Synonym	5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A ADRB2RL1 ADRBRL1 5-HT-1A Gpcr18 Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	422
Amino acid sequence	MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProt	P19327
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	CHEMBL273
IUPHAR	1
DrugBank	N/A

Ligand

Name	CHEMBL366388
Molecular formula	C24H29FN2O
IUPAC name	1-(4-fluorophenyl)-4-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]butan-1-one
Molecular weight	380.507
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.1
Synonyms	BDBM50056946 1-(4-Fluoro-phenyl)-4-[4-(1,2,3,4-tetrahydro-naphthalen-1-yl)-piperazin-1-yl]-butan-1-one
Inchi Key	JGHINESLHSSDOZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29FN2O/c25-21-12-10-20(11-13-21)24(28)9-4-14-26-15-17-27(18-16-26)23-8-3-6-19-5-1-2-7-22(19)23/h1-2,5,7,10-13,23H,3-4,6,8-9,14-18H2
PubChem CID	9864676
ChEMBL	CHEMBL366388
IUPHAR	N/A
BindingDB	50056946
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	210.0 nM	PMID9083484	BindingDB,ChEMBL
Inhibition	37.0 %	PMID9083484	ChEMBL
Ki	17.0 nM	PMID9083484	BindingDB,ChEMBL

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