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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	CHEMBL309992
Molecular formula	C22H26N4O4
IUPAC name	8-[3-(4-nitrophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight	410.474
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.1
Synonyms	BDBM50044456 8-[3-(4-Nitro-phenoxy)-propyl]-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one 8-[3-(4-nitrophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Inchi Key	ADEWDPHDHCJVIC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26N4O4/c27-21-22(25(17-23-21)18-5-2-1-3-6-18)11-14-24(15-12-22)13-4-16-30-20-9-7-19(8-10-20)26(28)29/h1-3,5-10H,4,11-17H2,(H,23,27)
PubChem CID	14968322
ChEMBL	CHEMBL309992
IUPHAR	N/A
BindingDB	50044456
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	1160.0 nM	PMID8355253	BindingDB,ChEMBL

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