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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	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	CHEMBL354210
Molecular formula	C23H29N3O
IUPAC name	N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
Molecular weight	363.505
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.3
Synonyms	BDBM50056947 L010272 N-{2-[4-(1,2,3,4-Tetrahydro-naphthalen-1-yl)-piperazin-1-yl]-ethyl}-benzamide SCHEMBL9387108
Inchi Key	GFORNYWGPFXWHV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29N3O/c27-23(20-8-2-1-3-9-20)24-13-14-25-15-17-26(18-16-25)22-12-6-10-19-7-4-5-11-21(19)22/h1-5,7-9,11,22H,6,10,12-18H2,(H,24,27)
PubChem CID	9998826
ChEMBL	CHEMBL354210
IUPHAR	N/A
BindingDB	50056947
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	14.0 nM	PMID9083484	ChEMBL
IC50	36.0 nM	PMID9083484	BindingDB,ChEMBL
Inhibition	93.0 %	PMID9083484	ChEMBL
Ki	0.4 nM	PMID9083484	ChEMBL
Ki	0.4 nM	PMID9083484	BindingDB
Ki	1.1 nM	PMID9083484	BindingDB,ChEMBL

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