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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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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	159277-08-4
Molecular formula	C11H14F3NO2
IUPAC name	2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]ethanamine
Molecular weight	249.233
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.1
Synonyms	2,5-Dimethoxy-4-(trifluoromethyl)-benzeneethanamine AJ-64353 UNII-16O4G6IKYL 2-(2,5-Dimethoxy-4-trifluoromethyl-phenyl)-ethylamine Benzeneethanamine, 2,5-dimethoxy-4-(trifluoromethyl)- 4-Trifluoromethyl-2,5-dimethoxybenzeneethanamine DTXSID70439308 2,5-DIMETHOXY-4-(TRIFLUOROMETHYL)PHENETHYLAMINE AKOS022182192 ZINC13739909 2-[2,5-Dimethoxy-4-(trifluoromethyl)phenyl]ethan-1-amine 16O4G6IKYL SCHEMBL14655561 2-(2,5-dimethoxy-4-(trifluoromethyl)phenyl)ethanamine BDBM50038369 2C-TFM CHEMBL136354 [ Show all ]
Inchi Key	LYXGNMLWYONZID-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14F3NO2/c1-16-9-6-8(11(12,13)14)10(17-2)5-7(9)3-4-15/h5-6H,3-4,15H2,1-2H3
PubChem CID	10399795
ChEMBL	CHEMBL136354
IUPHAR	N/A
BindingDB	50038369
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	3422.0 nM	PMID7996545	BindingDB,ChEMBL

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