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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	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	Sibenadet
Molecular formula	C22H28N2O5S2
IUPAC name	4-hydroxy-7-[2-[2-[3-(2-phenylethoxy)propylsulfonyl]ethylamino]ethyl]-3H-1,3-benzothiazol-2-one
Molecular weight	464.595
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	2.7
Synonyms	AC1L4DOB FT-0674579 ZINC36268680 4-Hydroxy-7-(2-((2-((3-(2-phenylethoxy)propyl)sulfonyl)ethyl)amino)ethyl)-1,3-benzothiazol-2(3H)-one ARC-68397 SB-07499 4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfonyl)-ethylamino]-ethyl}-3H-benzothiazol-2-one CHEMBL82663 Sibenadet [INN:BAN] 154189-40-9 AR-C 68397 L001485 4-hydroxy-7-[2-[2-(3-phenethyloxypropylsulfonyl)ethylamino]ethyl]-3H-1,3-benzothiazol-2-one BDBM50128690 SCHEMBL48983 DTXSID50165552 UNII-N32934RHGW 2(3H)-Benzothiazolone, 4-hydroxy-7-(2-((2-((3-(2-phenylethoxy)propyl)sulfonyl)ethyl)amino)ethyl)- AR-C 68397XX N32934RHGW 4-Hydroxy-7-[2-[[2-[[3-(2-phenylethoxy)propyl]sulfonyl]ethyl]amino]ethyl]-2(3H)-benzothiazolone [ Show all ]
Inchi Key	DBCKRBGYGMVSTI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H28N2O5S2/c25-19-8-7-18(21-20(19)24-22(26)30-21)9-11-23-12-16-31(27,28)15-4-13-29-14-10-17-5-2-1-3-6-17/h1-3,5-8,23,25H,4,9-16H2,(H,24,26)
PubChem CID	183812
ChEMBL	CHEMBL82663
IUPHAR	N/A
BindingDB	50128690
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Beta2 duration	146.0 min	PMID12852752	ChEMBL
Intrinsic activity	0.51 -	PMID12852752	ChEMBL
p[A]50	8.09 -	PMID12852752	ChEMBL
TIME	0.9667 hr	PMID24900851	ChEMBL

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