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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	CHEMBL26998
Molecular formula	C16H25NO
IUPAC name	(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Molecular weight	247.382
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.1
Synonyms	7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol BRD-K59765110-004-03-8 FT-0641759 NCGC00024635-01 Tocris-1080 (8-Hydroxyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine 8-Hydroxy-2-(di-n-propylamino)tetralin, (R)-Isomer CHEBI:103846 Lopac0_000638 PDSP1_001710 (R)-8-OH-DPAT AKOS015966329 CTK3E5783 NCGC00015493-02 SCHEMBL1682347 ((R)-8-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-ammonium 7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol ((R)-OH-DPAT) C-19929 Lopac-H-140 NCGC00024986-01 UNII-IWS1724PX6 component ASXGJMSKWNBENU-CQSZACIVSA-N (R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol 80300-09-0 LS-177548 PDSP2_001693 BDBM50016777 DTXSID00424964 NCGC00015493-03 Tocris-0529 ZINC3870312 (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol 7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol(8-OH-DPAT) CCG-204725 Lopac-H-8250 NCGC00024986-03 (r)-8-hydroxy-2-(di-n-propyl-amino)tetralin AC1O7G3K NCGC00015493-01 R-(+)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-1-ol [ Show all ]
Inchi Key	ASXGJMSKWNBENU-CQSZACIVSA-N
Inchi ID	InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1
PubChem CID	6603866
ChEMBL	CHEMBL26998
IUPHAR	N/A
BindingDB	50016777
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Hill coefficient	0.97 -	Bioorg. Med. Chem. Lett., (1991) 1:5:257	ChEMBL
IC50	4.84 nM	PMID2522991	BindingDB,ChEMBL
Inhibition	41.0 %	PMID8831769	ChEMBL
Inhibition	43.0 %	PMID8831769	ChEMBL
Inhibition	45.0 %	PMID8831769	ChEMBL
Inhibition	47.0 %	PMID8831769	ChEMBL
Inhibition	53.0 %	PMID8831769	ChEMBL
Ki	1.3 nM	, PMID7506312, Bioorg. Med. Chem. Lett., (1991) 1:5:257, PMID8831769	BindingDB,ChEMBL
Ki	3.1 nM	PMID8340910	BindingDB,ChEMBL
Ki	4.1 nM	PMID7530773	BindingDB,ChEMBL
No. of rats	42.0 -	PMID7506312	ChEMBL
Turnover	66.0 -	PMID7506312	ChEMBL

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