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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	CHEMBL51985
Molecular formula	C27H41N2O4+
IUPAC name	4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl-(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-methyl-propylazanium
Molecular weight	457.635
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.6
Synonyms	CHEMBL1178971 BDBM50036872 [4-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-butyl]-(5-methoxy-chroman-3-yl)-methyl-propyl-ammonium; iodide
Inchi Key	JKDNPVDWERGGAV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H41N2O4/c1-4-15-29(2,21-17-22-23(32-3)10-9-11-24(22)33-20-21)16-8-7-14-28-25(30)18-27(19-26(28)31)12-5-6-13-27/h9-11,21H,4-8,12-20H2,1-3H3/q+1
PubChem CID	10008463
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50036872
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	300.0 nM	PMID7912735	BindingDB

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