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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	timolol
Molecular formula	C13H24N4O3S
IUPAC name	(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
Molecular weight	316.42
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	1.8
Synonyms	NCGC00016798-02 194288-09-0 NCGC00022033-02 Phoxal-timolol API0004422 S(-)-Timolol maleate BDBM50292219 Tim-AK BPBio1_001008 Timolol maleate CC-35068 Timoptic DB00373 Tox21_110614 GTPL565 Lopac0_001189 (S)-1-(1,1-(Dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol (S)-1-tert-Butylamino-3-(4-morpholin-4-yl-[1,2,5]thiadiazol-3-yloxy)-propan-2-ol NCGC00016798-06 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, (2S)- Novo-Timol AB00513729 Prestwick0_000948 Apo-Timop SPBio_003075 Betimol (TN) BSPBio_000916 Timolol [USAN] CHEMBL499 Timoptic OcuDose. (TN) DSSTox_RID_77140 W-107148 HSDB 6533 (-)-3-Morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole MolPort-006-125-123 NCGC00016038-02 1-(tert-butylamino)-3-[4-(1,4-oxazinan-4-yl)-1,2,5-thiadiazol-3-yloxy]-(2S)-propan-2-ol NCGC00016798-09 26921-17-5 (maleate (1:1) salt) Oprea1_640981 AC1Q59QM Prestwick3_000948 ARONIS24479 Tenopt Blocadren Timolol anhydrous CAS-26839-75-8 Timololum [INN-Latin] D08600 Timoptol FT-0630529 L-714,465 (2S)-1-[(1,1-dimethylethyl)amino]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol (S)-1-(tert-Butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)propan-2-ol NCGC00016798-03 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-, (2S)- NCGC00022033-04 5JKY92S7BR Phoxal-timolol (TN) Apo-Timol S-(-)-3-(3-tert-Butylamino-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole Betim Tim-AK (TN) BRD-K08806317-050-03-6 Timolol Maleate, (1:1) Salt CHEBI:9599 Timoptic (TN) DSSTox_CID_3674 Tox21_110614_1 HMS2089I11 LS-122231 (S)-timolol NCGC00016798-07 2-Propanol,1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-,(2S)- Nu-Timolol AB00513729-17 Prestwick1_000948 Apo-Timop (TN) ST072193 BIDD:GT0073 Timolol (INN) C-19486 Timololo CTK4F8602 Timoptic-XE DTXSID4023674 ZINC2176 Istalol (2S)-1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol NC00592 NCGC00016798-01 131628-37-0 NCGC00016798-11 Optimol AKOS015969764 Proflax BBC/645 TIM Blocadren (TN) Timolol GFS CAS-26921-17-5 Timopic Tocris-0649 Gen-Timolol (TN) Lopac-T-6394 (2S)-3-[(tert-butyl)amino]-1-(4-morpholin-4-yl(1,2,5-thiadiazol-3-yl)oxy)propa n-2-ol (S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol NCGC00016798-05 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-, (S)- NCGC00022033-05 839T758 PMS-Timolol (TN) Apo-Timol (TN) SCHEMBL4912 Betimol Timacar BRD-K08806317-103-02-5 Timolol [USAN:INN] Timoptic OcuDose DSSTox_GSID_23674 UNII-5JKY92S7BR HMS3259C20 MK-950 NCGC00016038-01 (S)-timolol (anhydrous) NCGC00016798-08 26839-75-8 Nu-Timolol (TN) AC1L1PYN Prestwick2_000948 Aquanil Temserin BLJRIMJGRPQVNF-JTQLQIEISA-N Timolol (TN) C07141 Timololum D05UVD Timoptic-XE (TN) EINECS 248-032-6 Istalol (TN) (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol [ Show all ]
Inchi Key	BLJRIMJGRPQVNF-JTQLQIEISA-N
Inchi ID	InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1
PubChem CID	33624
ChEMBL	CHEMBL499
IUPHAR	565
BindingDB	50292219
DrugBank	DB00373
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2712.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	616.6 nM	PMID8568799	ChEMBL
Ki	1550.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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