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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	TERTATOLOL
Molecular formula	C16H25NO2S
IUPAC name	1-(tert-butylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol
Molecular weight	295.441
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.7
Synonyms	1-[(3,4-Dihydro-2H-1-benzothiopyran-8-yl)oxy]-3-[(1,1-dimethylethyl)amino]-2-propanol CHEBI:135244 dl-Tertatolol LS-177775 tert-butyl[3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-2-hydroxypropyl]amine Tertatololum [Latin] 1-(tert-butylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol 2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((1,1-dimethylethyl)amino)-, (+-)- AC1L1WMU CS-7407 GTPL571 Racemic Tertatolol Tertatolol [BAN:INN] (+-)-1-((3,4-Dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((1,1-dimethylethyl)amino)-2-propanol 1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2-ol 34784-64-0 BDBM50280934 DL-8-(2'-hydroxy-3'-t-butylaminopropyloxy)thiochroman.HCl L001170 SCHEMBL49634 tertatolol, (+-)-isomer 1-((3,4-Dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((1,1-dimethylethyl)amino)-2-propanol 1-[[(3,4-Dihydro-2H-1-benzothiopyran)-8-yl]oxy]-3-[(1,1-dimethylethyl)amino]-2-propanol 83688-84-0 EINECS 280-519-9 rac Tertatolol 1-(tert-butylamino)-3-thiochroman-8-yloxypropan-2-ol 2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((1,1-dimethylethyl)amino)-,(+-)- ACM34784640 D03SFU HY-U00356 S 2395 Tertatolol [INN:BAN] (+-)-1-(tert-Butylamino)-3-(thiochroman-8-yloxy)-2-propanol 1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2-ol(TERtatolol) C16H25NO2S dl-Tertatalol LS-122112 SE-2395 Tertatololum 1-(tert-Butylamino)-3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)propan-2-ol 2-Propanol, 1-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((1,1-dimethylethyl)amino)- 83688-85-1 (hydrochloride) CHEMBL434200 FT-0675301 Racemic teraterol Tertatolol (INN) ( inverted exclamation markA)-Tertatolol 1-(tert-butylamino)-3-[(3,4-dihydro-2h-1-benzothiopyran-8-yl)oxy]propan-2-ol 2-propanol, 1-((3,40dihydro-2H-1-benzothiopyran-8-yl)oxy)-3-((1,1-dimethylethyl)amino)- API0007011 D07182 KB-216025 S-2395 TERTATOLOL(-) [ Show all ]
Inchi Key	HTWFXPCUFWKXOP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
PubChem CID	36920
ChEMBL	CHEMBL434200
IUPHAR	571
BindingDB	50280934
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	7.7 nM	N/A	BindingDB
Ki	7.71 nM	Bioorg. Med. Chem. Lett., (1993) 3:10:2035	ChEMBL
Ki	8.31 nM	PMID8301575	BindingDB
Ki	18.0 nM	N/A	BindingDB
Ki	18.2 nM	Bioorg. Med. Chem. Lett., (1993) 3:10:2035	ChEMBL
Ki	18.62 nM	PMID8568799	ChEMBL
Ki	37.6 nM	Bioorg. Med. Chem. Lett., (1993) 3:10:2035	ChEMBL
Ki	38.0 nM	N/A	BindingDB

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