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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Beta-2 adrenergic receptor
Species	Bos taurus (Bovine)
Gene	ADRB2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGQPGNRSVFLLAPNASHAPDQNVTLERDEAWVVGMGILMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGACHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYLAITSPFKYQCLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRASHKEAINCYAKETCCDFFTNQPYAIASSIVSFYLPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNVSQVEQDGRSGLGQRRTSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIKDNLIRKEIYILLNWLGYINSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGCSSNSNDRTDYTGEQSGYHLGEEKDSELLCEDPPGTENFVNQQGTVPSDSIDSQGRNCSTNDSLL
UniProt	Q28044
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	CHEMBL3373
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	sotalol
Molecular formula	C12H20N2O3S
IUPAC name	N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
Molecular weight	272.363
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	0.2
Synonyms	LS-90249 N-(4-(1-Hydroxy-2-(isopropylamino)ethyl)phenyl)methanesulfonamide NCGC00015919-03 3930-20-9 Prestwick1_000966 AB00514715 Sotalex (TN) AKOS015897340 Sotalolum BRD-A33168282-003-03-2 CCG-205132 D08525 DSSTox_RID_77096 GTPL7297 Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)-(9CI) N-(4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenyl)methanesulfonamide NCGC00015919-06 4'-[1-Hhydroxy-2-(isopropylamino)ethyl]methanesulfonanilide R2742 AB00514715_11 Sotalol Monohydrochloride AX8014256 ST24048357 C-17160 L013427 MJ-1999 N-{4-[1-hydroxy-2-(isopropylamino)ethyl]phenyl}methanesulfonamide NCGC00024899-03 930S209 Sorine AC1L1JXU Sotalol,(-) Betapace AF (TN) ZBMZVLHSJCTVON-UHFFFAOYSA-N CAS-3930-20-9 d,l-Sotalol DSSTox_CID_3589 DTXSID0023589 Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)- N-(4-[1-Hydroxy-2-(isopropylamino)ethyl]phenyl)methanesulfonamide # NCGC00015919-04 4'-(1-Hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide Prestwick2_000966 AB00514715-09 ALBB-022454 Sotalolum [INN-Latin] BRD-A33168282-003-06-5 CCRIS 4204 Darob mite HMS2089K09 Methanesulfonamide, N-[4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]- N-[4-[1-Hydroxy-2-(isopropylamino)ethyl]phenyl]methanesulfonamide (+-)-Sotalol NCGC00015919-07 4'-[1-Hydroxy-2-(isopropylamino)ethyl]metahnesulfonanilide SBI-0051025.P002 AB00514715_12 Sotalol [INN:BAN] BDBM25762 Tox21_110261 C07309 CHEMBL471 DB00489 Lopac0_001055 MolPort-002-042-381 N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide 27948-47-6 Prestwick0_000966 959-24-0 (mono-hydrochloride) Sotacor (TN) AK129841 Sotalolo BPBio1_001069 ZX-AN038039 CC-34512 D04VMT DSSTox_GSID_23589 FT-0635062 Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)- (9CI) N-(4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}phenyl)methanesulfonamide NCGC00015919-05 4'-(1-Hydroxy-2-isopropylaminoethyl)methanesulfonanilid Prestwick3_000966 AB00514715-10 Sotalol (INN) API0004211 SPBio_002892 BSPBio_000971 CHEBI:63622 Darob mite (TN) KB-258172 Methanesulfonanilide, 4'-(1-hydroxy-2-(isopropylamino)ethyl)- N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide .beta.-Cardone NCGC00024899-02 4'-[1-Hydroxy-2-(isopropylamino)ethyl]methanesulfonanilide SCHEMBL16407 AC-19021 Sotalol,(+) beta-Cardone VA11777 C12H20N2O3S cid_66245 DL-Sotalol [ Show all ]
Inchi Key	ZBMZVLHSJCTVON-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
PubChem CID	5253
ChEMBL	CHEMBL471
IUPHAR	N/A
BindingDB	25762
DrugBank	DB00489
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
-Delta G	9.32 -	PMID2836587	ChEMBL
-Log KD	6.57 -	PMID2993621	ChEMBL
Kd	580.0 nM	PMID2993621	BindingDB,ChEMBL

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