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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	CHEMBL11592
Molecular formula	C26H38N2O4
IUPAC name	8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight	442.6
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.6
Synonyms	AC1L3TIS NSC_121851 138277-78-8 CAS_121851 SCHEMBL13532499 8-[4-[[(3S)-5-methoxychroman-3-yl]-propyl-amino]butyl]-8-azaspiro[4.5]decane-7,9-dione L001425 ACMC-20mxer PDSP1_000057 8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione LS-22710 BDBM82368 PDSP2_000057 8-[4-[Propyl(5-methoxychroman-3-yl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione [ Show all ]
Inchi Key	DLLULNTXJPATBC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
PubChem CID	121852
ChEMBL	CHEMBL11592
IUPHAR	N/A
BindingDB	82368
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	0.2 nM	PMID8863806	BindingDB,ChEMBL
IC50	0.3 nM	PMID8863806	ChEMBL
IC50	0.3 nM	PMID8863806, PMID7912735	BindingDB
IC50	2.0 nM	PMID8863806, PMID7912735	BindingDB,ChEMBL
Ki	0.1 nM	PMID8568799	ChEMBL

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