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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL14010
Molecular formula	C24H28N2O4S
IUPAC name	2-[4-(5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl)butyl]-1,1-dioxo-1,2-benzothiazol-3-one
Molecular weight	440.558
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.5
Synonyms	2-[4-(5-Methoxy-1,3,4,4a,9,9a-hexahydro-indeno[2,1-c]pyridin-2-yl)-butyl]-1,1-dioxo-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one BDBM50043661 2-[4-[(5-Methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-c]pyridin)-2-yl]butyl]-3-oxo-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
Inchi Key	DDRLEZIXSWVAIO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28N2O4S/c1-30-21-9-6-7-17-15-18-16-25(14-11-19(18)23(17)21)12-4-5-13-26-24(27)20-8-2-3-10-22(20)31(26,28)29/h2-3,6-10,18-19H,4-5,11-16H2,1H3
PubChem CID	44269070
ChEMBL	CHEMBL14010
IUPHAR	N/A
BindingDB	50043661
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.98 nM	PMID8289183	ChEMBL
Ki	2.0 nM	PMID8289183	BindingDB

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