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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	CHEMBL335082
Molecular formula	C23H26N2O3S
IUPAC name	1-(1-benzothiophen-3-yl)-3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propan-1-ol
Molecular weight	410.532
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.8
Synonyms	1-Benzo[b]thiophen-3-yl-3-[4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl]-propan-1-ol; BDBM50118326
Inchi Key	KPJPDPHSTNUEQY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N2O3S/c26-20(18-16-29-22-7-2-1-4-17(18)22)8-9-24-10-12-25(13-11-24)19-5-3-6-21-23(19)28-15-14-27-21/h1-7,16,20,26H,8-15H2
PubChem CID	10319395
ChEMBL	CHEMBL335082
IUPHAR	N/A
BindingDB	50118326
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Basal	15.57 (fM of GTP-gammaS bound) (mg of	PMID12213056	ChEMBL
Basal	18.53 (fM of GTP-gammaS bound) (mg of	PMID12213056	ChEMBL
IC50	56.21 nM	PMID12213056	BindingDB,ChEMBL
Increase	3.4 %	PMID12213056	ChEMBL
Inhibition	90.0 %	PMID12213056	ChEMBL
Ki	5.7 nM	PMID12213056	BindingDB,ChEMBL
Max	16.1 (fM of GTP-gammaS bound) (mg of	PMID12213056	ChEMBL
Max	19.09 (fM of GTP-gammaS bound) (mg of	PMID12213056	ChEMBL

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