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GPCR

Name	Beta-2 adrenergic receptor
Species	Cavia porcellus (Guinea pig)
Gene	Adrb2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGHLGNGSDFLLAPNASHAPDHNVTRERDEAWVVGMAIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMNMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVVILMVWVVSGLTSFLPIQMHWYRATHKDAINCYAEETCCDFFTNQAYAIASSIVSFYLPLVVMVFVYSRVFQVAKKQLQKIDRSEGRFHTQNLSQVEQDGRSGHGLRRSSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIPKEVYILLNWVGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSALKAYGNDCSSNSNGKTDYTGEPNVCHQGQEKERELLCEDPPGTEDLVSCPGTVPSDSIDSQGRNYSTNDSLL
UniProt	Q8K4Z4
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	CHEMBL5414
IUPHAR	N/A
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	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 NCGC00016798-02 194288-09-0 NCGC00022033-02 Phoxal-timolol API0004422 S(-)-Timolol maleate BDBM50292219 Tim-AK BPBio1_001008 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 (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) 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 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 Maleate, (1:1) Salt CHEBI:9599 Timoptic (TN) DSSTox_CID_3674 Tox21_110614_1 HMS2089I11 LS-122231 (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 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 (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) 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 NCGC00016798-01 131628-37-0 NCGC00016798-11 Optimol AKOS015969764 Proflax BBC/645 TIM Blocadren (TN) Timolol [USAN:INN] Timoptic OcuDose DSSTox_GSID_23674 UNII-5JKY92S7BR HMS3259C20 MK-950 (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 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 NCGC00016038-01 (S)-timolol (anhydrous) NCGC00016798-08 26839-75-8 Nu-Timolol (TN) AC1L1PYN Prestwick2_000948 Aquanil Temserin BLJRIMJGRPQVNF-JTQLQIEISA-N Timolol (TN) [ 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
Kd	0.166 nM	PMID2872332	BindingDB,ChEMBL
Kd	0.2399 nM	PMID6134834, PMID6126588	ChEMBL
Kd	0.24 nM	PMID6134834, PMID6126588	BindingDB

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