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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	CHEMBL62777
Molecular formula	C17H27NO
IUPAC name	7-(dipropylamino)-4-methyl-5,6,7,8-tetrahydronaphthalen-1-ol
Molecular weight	261.409
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.5
Synonyms	7-Dipropylamino-4-methyl-5,6,7,8-tetrahydro-naphthalen-1-ol 1,2,3,4-Tetrahydro-2-(dipropylamino)-5-methyl-8-naphthalenol BDBM50280931
Inchi Key	BNMXVEWINKAJLK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H27NO/c1-4-10-18(11-5-2)14-7-8-15-13(3)6-9-17(19)16(15)12-14/h6,9,14,19H,4-5,7-8,10-12H2,1-3H3
PubChem CID	9992840
ChEMBL	CHEMBL62777
IUPHAR	N/A
BindingDB	50280931
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	18.0 nM	N/A	BindingDB
Ki	18.4 nM	Bioorg. Med. Chem. Lett., (1993) 3:10:2035	ChEMBL
Ki	30.8 nM	Bioorg. Med. Chem. Lett., (1993) 3:10:2035	ChEMBL
Ki	31.0 nM	N/A	BindingDB
Ki	46.6 nM	Bioorg. Med. Chem. Lett., (1993) 3:10:2035	ChEMBL
Ki	47.0 nM	N/A	BindingDB
Ki	81.0 nM	N/A	BindingDB
Ki	81.1 nM	Bioorg. Med. Chem. Lett., (1993) 3:10:2035	ChEMBL

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