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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.
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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	CHEMBL2112696
Molecular formula	C24H24FN3OS
IUPAC name	1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)propan-1-ol
Molecular weight	421.534
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.8
Synonyms	N/A
Inchi Key	SKZALCXJWOZPOG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)9-10-27-11-13-28(14-12-27)24-8-5-17-3-1-2-4-21(17)26-24/h1-8,15-16,22,29H,9-14H2
PubChem CID	71449095
ChEMBL	CHEMBL2112696
IUPHAR	N/A
BindingDB	N/A
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	14.43 (fM of GTP-gammaS bound) (mg of	PMID12213056	ChEMBL
Basal	19.29 (fM of GTP-gammaS bound) (mg of	PMID12213056	ChEMBL
IC50	3.8 nM	PMID12213056	ChEMBL
Increase	27.7 %	PMID12213056	ChEMBL
Inhibition	80.0 %	PMID12213056	ChEMBL
Ki	2.5 nM	PMID12213056	ChEMBL
Max	18.43 (fM of GTP-gammaS bound) (mg of	PMID12213056	ChEMBL
Max	21.38 (fM of GTP-gammaS bound) (mg of	PMID12213056	ChEMBL

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