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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	Salbutamol
Molecular formula	C13H21NO3
IUPAC name	4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol
Molecular weight	239.315
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	0.3
Synonyms	CS0015 ZX-AFC000812 ACM35763269 dl-Albuterol Albuterol (USP) Ecovent alpha(sup 1)-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol GTPL558 Anebron Asmidon .alpha.1'-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol, hemisulfate BDBM25769 ST077150 1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-alpha1,alpha3-diol BRN 2213614 Tox21_110266 4-Hydroxy-3-hydroxymethyl-.alpha.-((tert-butylamino)methyl)benzyl alcohol Buto-Asma Ventamol 4-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol CCG-39288 Ventoline AB00052154_10 Salbutamol, British Pharmacopoeia (BP) Reference Standard Mozal Salbutard NCGC00015955-11 Salvent NCGC00024698-05 SCHEMBL4913 NSC757417 Spectrum2_001350 Prestwick2_000198 SR-01000075161-4 Proventil HFA HMS3712H17 Respolin KBio1_000943 Salbron KUC106739N m-Xylene-.alpha.,.alpha.'-diol, .alpha.'-((tert-butylamino)methyl)-4-hydroxy- AB1006817 D0K5CB AH 3365 DSSTox_CID_1255 Albuterol [USAN:USP] EU-0101090 Alpha-[(t-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha-diol HMS2089I19 Asmadil (+-)-Salbutamol Asthalin 1,3-Benzenedimethanol, .alpha.1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy- Bio1_001424 Sultanol N 2-(tert-Butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanol Bronter to_000081 4-[(1S)-2-(butylamino)-1-hydroxy-isopropyl]-2-(hydroxymethyl)phenol Butovent Ventodisks 559S949 Volma m-Xylene-alpha,alpha'-diol, alpha-((tert-butylamino)methyl)-4-hydroxy- Salbutamol,(+/-) NCGC00015955-06 Salbuven NCGC00015955-14 SBI-0051060.P005 NCGC00258354-01 SMP1_000268 PDSP2_000620 Spectrum_000200 ProAi (TN) Q-201696 HY-B1037 Sabutal KBio2_005816 Salbuhexal Libretin Salbutamol Free Base Combivent VU0243312-5 AC1Q1MO0 Dilatamol albuterol DTXSID5021255 Almotex Gerivent AN-18804 Asmatol BCBcMAP01_000116 ST024764 1,3-Benzenedimethanol, alpha1-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy- BRD-A88254928-001-04-6 Theosal 35763-26-9 Bumol Venetlin (Salt/Mix) 4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol # CAS-18559-94-9 Ventolin Inhaler AB00052154-08 Salbutamol Sulphate MFCD00148978 Salbutamolum [INN-Latin] NCGC00015955-09 Salmaplon NCGC00024698-03 SCH-13949W Novosalmol SPBio_002076 Prestwick0_000198 SR-01000075161-11 Proventil HMS2092I08 racemic-Salbutamol J10176 Salamol EB KS-5209 Salbusian LS-29861 AB00052154_11 CTK8E5622 Aerolin DL-N-tert-Butyl-2-(4-hydroxy-3-hydroxymethylphenyl)-2-hydroxyethylamine ALBUTEROL SULFATE EINECS 242-424-0 alpha-[(t-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha -diol HMS1568H17 API0006973 (+-)-Albuterol Asmol .alpha.1-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-.alpha.,.alpha.'-diol Bio1_000446 ST24042831 18559-94-9 Broncho-Spray Tox21_110266_1 4-Hydroxy-3-hydroxymethyl-alpha-((tert-butylamino)methyl)benzyl alcohol Butohaler Ventilan 4-{2-[(tert-butyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol Cetsim Volare albuterol HFA Salbutamol, European Pharmacopoeia (EP) Reference Standard NCGC00015955-04 Salbutine NCGC00015955-12 Saventol NCGC00024698-06 Servitamol Parasma Spectrum4_000887 Prestwick3_000198 Proventil Inhaler HMS502P05 Rotahaler KBio2_000680 Salbu-BASF L000531 Salbutamol (Albuterol) m-Xylene-.alpha.,.alpha.-diol, .alpha.-1-((tert-butylamino)methyl)-4-hydroxy- Volmax AC-10286 Airomir DSSTox_GSID_21255 Albuterol [USAN] Farcolin alpha-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha'-diol Asmanil (alpha1-((tert-butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha-diol) Asthalin (TN) SR-01000075161-5 1,3-Benzenedimethanol, alpha(sup 1)-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy- BIS7017 Suprasma 2-t-Butylamino-1-(4-hydroxy-3-hydroxy-3-hydroxymethyl)phenylethanol BSPBio_000155 TR-008568 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol Buventol Ventolin A812971 CHEMBL714 MCULE-4493408325 Salbutamol-d9 NCGC00015955-07 Salbuvent NCGC00015955-16 SC-22638 NDAUXUAQIAJITI-UHFFFAOYSA-N Solbutamol Pharmakon1600-01500677 Spreor ProAir R,S-Albuterol I06-0331 Sabutamol KBioGR_001294 Salbulin Lopac0_001090 Salbutamol impurity I (1RS)-2-[(1,1-dimethylethyl) CS-4556 Zaperin AccuNeb DivK1c_000943 ALBUTEROL (+/-) EC 242-424-0 alpha'-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol Grafalin AN-7048 Asmaven .alpha.'-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-.alpha.,.alpha.'-diol BCP28423 ST075204 1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-.alpha.1,.alpha.3-diol BRD-A88254928-001-05-3 Tobybron 4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol Butamol Ventalin inhaler 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol CC-23825 Ventolin Rotacaps AB00052154-09 Salbutamol [INN:BAN] MolPort-001-838-925 Salbutan NCGC00015955-10 Salomol NCGC00024698-04 SCHEMBL10025126 NSC-757417 SPECTRUM1500677 Prestwick1_000198 SR-01000075161-3 Proventil (TN) HMS2095H17 Respax K-5595 Salbetol KSC-11-222-1 Salbutalan LS-7693 AB0011383 D02147 Aerolin (TN) dl-Salbutamol Albuterol Sulphate Eolene alpha-[(t-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha'-diol HMS1921C04 Arubendol-Salbutamol (+-)-alpha(sup 1)-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxy-1,3-benzenedimethanol Asmol Uni-Dose 1,3-Benzenedimethanol, .alpha.(1)-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy- Bio1_000935 Sultanol 2-(tert-Butylamino)-1-(4-hydroxy-3-hydroxymethylphenyl)ethanol Broncovaleas Tox21_200800 4-[(1S)-1-hydroxy-2-(propylamino)ethyl]-2-(hydroxymethyl)phenol, oxamethane Butotal Ventiloboi CHEBI:2549 Volare easi-breathe m-Xylene-alpha,alpha'-diol, alpha'-((tert-butylamino)methyl)-4-hydroxy- Salbutamol, VETRANAL(TM), analytical standard NCGC00015955-05 Salbutol NCGC00015955-13 SBB066105 NCGC00024698-07 SGCUT00011 PDSP1_000623 Spectrum5_001059 Prestwick_665 Q-201695 HSDB 7206 S 8260 KBio2_003248 Salbu-Fatol Levosalbutamol Hydrochloride Salbutamol 100 microg/mL in Acetonitrile Cobutolin Vospire AC1L1CVO DB01001 AKOS007930174 DSSTox_RID_76042 Albuterol, United States Pharmacopeia (USP) Reference Standard FT-0630453 Alti-Salbutamol Asmasal (l)-albuterol AX8136202 SR-01000075161-8 1,3-Benzenedimethanol, alpha(sup 1)-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-, (+-)- BPBio1_000171 Suxar Bugonol Vencronyl 4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol C-14301 Ventolin (TN) AB00052154 Medolin Salbutamolum NCGC00015955-08 Sallbupp NCGC00024698-02 SC-93513 NINDS_000943 SPBio_001539 Pneumolat SR-01000075161 Proair HFA racemic salbutamol IDI1_000943 Salamol KBioSS_000680 Salbupur Lopac0_001098 Salbutamol sulfate [ Show all ]
Inchi Key	NDAUXUAQIAJITI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PubChem CID	2083
ChEMBL	CHEMBL714
IUPHAR	558
BindingDB	25769
DrugBank	DB01001
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
-Delta G	9.34 -	PMID2836587	ChEMBL
-Log KD	6.58 -	PMID2993621	ChEMBL
cAMP production	122.0 pM min-1 mg-1	PMID2870189	ChEMBL
Concentration	3e-05 M	PMID2870189	ChEMBL
ISA	1.0 -	PMID2870189	ChEMBL
Kd	520.0 nM	PMID2993621	BindingDB,ChEMBL
Kd	570.0 nM	PMID2870189	BindingDB
KD app	0.57 uM	PMID2870189	ChEMBL

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