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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	CHEMBL135623
Molecular formula	C23H24FN3OS
IUPAC name	1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(1H-indol-4-yl)piperazin-1-yl]propan-1-ol
Molecular weight	409.523
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.3
Synonyms	SCHEMBL6596051 1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-[4-(1H-indol-4-yl)-piperazin-1-yl]-propan-1-ol; BDBM50118330
Inchi Key	GWCXMTRMKIIFDL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24FN3OS/c24-16-4-5-23-18(14-16)19(15-29-23)22(28)7-9-26-10-12-27(13-11-26)21-3-1-2-20-17(21)6-8-25-20/h1-6,8,14-15,22,25,28H,7,9-13H2
PubChem CID	10158434
ChEMBL	CHEMBL135623
IUPHAR	N/A
BindingDB	50118330
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	10.08 (fM of GTP-gammaS bound) (mg of	PMID12213056	ChEMBL
Basal	11.22 (fM of GTP-gammaS bound) (mg of	PMID12213056	ChEMBL
IC50	16.12 nM	PMID12213056	BindingDB,ChEMBL
Increase	35.5 %	PMID12213056	ChEMBL
Inhibition	110.0 %	PMID12213056	ChEMBL
Ki	5.9 nM	PMID12213056	BindingDB,ChEMBL
Max	10.06 (fM of GTP-gammaS bound) (mg of	PMID12213056	ChEMBL
Max	13.66 (fM of GTP-gammaS bound) (mg of	PMID12213056	ChEMBL

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