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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	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	Vospire SR-01000075161-8 Suxar Vencronyl Ventolin (TN) Salbutamol sulfate 4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol # Medolin CAS-18559-94-9 Salbutamolum AB00052154-08 NCGC00015955-08 Combivent Sallbupp AC1Q1MO0 NCGC00024698-02 Dilatamol SC-93513 albuterol NINDS_000943 DTXSID5021255 SPBio_001539 Almotex Pneumolat Gerivent SR-01000075161 AN-18804 Proair HFA Asmatol racemic salbutamol IDI1_000943 BCBcMAP01_000116 Salamol 1,3-Benzenedimethanol, alpha1-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy- KBioSS_000680 BRD-A88254928-001-04-6 Salbupur 35763-26-9 Lopac0_001098 Bumol ZX-AFC000812 ST077150 Tox21_110266 Ventamol Ventoline Butohaler Salbutamol, British Pharmacopoeia (BP) Reference Standard 4-{2-[(tert-butyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol Mozal Cetsim Salbutard AB00052154_11 NCGC00015955-11 CTK8E5622 Salvent Aerolin NCGC00024698-05 DL-N-tert-Butyl-2-(4-hydroxy-3-hydroxymethylphenyl)-2-hydroxyethylamine SCHEMBL4913 ALBUTEROL SULFATE NSC757417 EINECS 242-424-0 Spectrum2_001350 alpha-[(t-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha -diol Prestwick2_000198 HMS1568H17 SR-01000075161-4 API0006973 Proventil HFA (+-)-Albuterol HMS3712H17 Asmol Respolin .alpha.1-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-.alpha.,.alpha.'-diol KBio1_000943 Bio1_000446 Salbron 18559-94-9 KUC106739N Broncho-Spray 4-Hydroxy-3-hydroxymethyl-alpha-((tert-butylamino)methyl)benzyl alcohol m-Xylene-.alpha.,.alpha.'-diol, .alpha.'-((tert-butylamino)methyl)-4-hydroxy- Volma Sultanol N to_000081 Ventodisks 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol m-Xylene-alpha,alpha'-diol, alpha-((tert-butylamino)methyl)-4-hydroxy- Buventol Salbutamol,(+/-) A812971 NCGC00015955-06 CHEMBL714 Salbuven AC-10286 NCGC00015955-14 SBI-0051060.P005 Airomir NCGC00258354-01 DSSTox_GSID_21255 SMP1_000268 Albuterol [USAN] PDSP2_000620 Farcolin Spectrum_000200 alpha-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha'-diol ProAi (TN) Asmanil Q-201696 (alpha1-((tert-butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha-diol) HY-B1037 Asthalin (TN) Sabutal 1,3-Benzenedimethanol, alpha(sup 1)-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy- KBio2_005816 BIS7017 Salbuhexal 2-t-Butylamino-1-(4-hydroxy-3-hydroxy-3-hydroxymethyl)phenylethanol Libretin BSPBio_000155 Salbutamol Free Base VU0243312-5 ST024764 Theosal Venetlin (Salt/Mix) Ventolin Inhaler Butamol Salbutamol Sulphate 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol MFCD00148978 CC-23825 Salbutamolum [INN-Latin] AB00052154-09 NCGC00015955-09 CS-4556 Salmaplon AccuNeb NCGC00024698-03 DivK1c_000943 SCH-13949W ALBUTEROL (+/-) Novosalmol EC 242-424-0 SPBio_002076 alpha'-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol Prestwick0_000198 Grafalin SR-01000075161-11 AN-7048 Proventil HMS2092I08 Asmaven racemic-Salbutamol .alpha.'-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-.alpha.,.alpha.'-diol J10176 BCP28423 Salamol EB 1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-.alpha.1,.alpha.3-diol KS-5209 BRD-A88254928-001-05-3 Salbusian 4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol LS-29861 ST24042831 Tox21_110266_1 Ventilan Volare albuterol HFA m-Xylene-.alpha.,.alpha.-diol, .alpha.-1-((tert-butylamino)methyl)-4-hydroxy- Butotal Salbutamol, European Pharmacopoeia (EP) Reference Standard NCGC00015955-04 CHEBI:2549 Salbutine AB0011383 NCGC00015955-12 D02147 Saventol Aerolin (TN) NCGC00024698-06 dl-Salbutamol Servitamol Albuterol Sulphate Parasma Eolene Spectrum4_000887 alpha-[(t-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha'-diol Prestwick3_000198 HMS1921C04 Arubendol-Salbutamol Proventil Inhaler (+-)-alpha(sup 1)-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxy-1,3-benzenedimethanol HMS502P05 Asmol Uni-Dose Rotahaler 1,3-Benzenedimethanol, .alpha.(1)-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy- KBio2_000680 Bio1_000935 Salbu-BASF 2-(tert-Butylamino)-1-(4-hydroxy-3-hydroxymethylphenyl)ethanol L000531 Broncovaleas Salbutamol (Albuterol) 4-[(1S)-1-hydroxy-2-(propylamino)ethyl]-2-(hydroxymethyl)phenol, oxamethane Volmax SR-01000075161-5 Suprasma TR-008568 Ventolin 4-[2-(tert-Butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol MCULE-4493408325 C-14301 Salbutamol-d9 AB00052154 NCGC00015955-07 Cobutolin Salbuvent AC1L1CVO NCGC00015955-16 DB01001 SC-22638 AKOS007930174 NDAUXUAQIAJITI-UHFFFAOYSA-N DSSTox_RID_76042 Solbutamol Albuterol, United States Pharmacopeia (USP) Reference Standard Pharmakon1600-01500677 FT-0630453 Spreor Alti-Salbutamol ProAir Asmasal R,S-Albuterol (l)-albuterol I06-0331 AX8136202 Sabutamol 1,3-Benzenedimethanol, alpha(sup 1)-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-, (+-)- KBioGR_001294 BPBio1_000171 Salbulin Lopac0_001090 Bugonol Salbutamol impurity I (1RS)-2-[(1,1-dimethylethyl) Zaperin ST075204 Tobybron Ventalin inhaler Ventolin Rotacaps Buto-Asma Salbutamol [INN:BAN] 4-{2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol MolPort-001-838-925 CCG-39288 Salbutan AB00052154_10 NCGC00015955-10 CS0015 Salomol ACM35763269 NCGC00024698-04 dl-Albuterol SCHEMBL10025126 Albuterol (USP) NSC-757417 Ecovent SPECTRUM1500677 alpha(sup 1)-((tert-Butylamino)methyl)-4-hydroxy-m-xylene-alpha,alpha'-diol Prestwick1_000198 GTPL558 SR-01000075161-3 Anebron Proventil (TN) HMS2095H17 Asmidon Respax .alpha.1'-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol, hemisulfate K-5595 BDBM25769 Salbetol 1-(tert-Butylaminomethyl)-4-hydroxy-m-xylene-alpha1,alpha3-diol KSC-11-222-1 BRN 2213614 Salbutalan 4-Hydroxy-3-hydroxymethyl-.alpha.-((tert-butylamino)methyl)benzyl alcohol LS-7693 Sultanol Tox21_200800 Ventiloboi Volare easi-breathe 4-[(1S)-2-(butylamino)-1-hydroxy-isopropyl]-2-(hydroxymethyl)phenol m-Xylene-alpha,alpha'-diol, alpha'-((tert-butylamino)methyl)-4-hydroxy- Butovent Salbutamol, VETRANAL(TM), analytical standard 559S949 NCGC00015955-05 Salbutol AB1006817 NCGC00015955-13 D0K5CB SBB066105 AH 3365 NCGC00024698-07 DSSTox_CID_1255 SGCUT00011 Albuterol [USAN:USP] PDSP1_000623 EU-0101090 Spectrum5_001059 Alpha-[(t-Butylamino)methyl]-4-hydroxy-m-xylene-alpha,alpha-diol Prestwick_665 HMS2089I19 Asmadil Q-201695 (+-)-Salbutamol HSDB 7206 Asthalin S 8260 1,3-Benzenedimethanol, .alpha.1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy- KBio2_003248 Bio1_001424 Salbu-Fatol 2-(tert-Butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanol Levosalbutamol Hydrochloride Bronter Salbutamol 100 microg/mL in Acetonitrile [ 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
EC50	0.454 nM	PMID19168263	ChEMBL
EC50	0.454 nM	PMID19168263	BindingDB
EC50	9.1 nM	PMID19245211	ChEMBL
EC50	268.0 nM	PMID19168263	BindingDB,ChEMBL
ED50	1.1 10'-8M	PMID20504	ChEMBL
Efficacy	68.0 %	PMID25592716	ChEMBL
Emax	100.0 %	PMID19245211	ChEMBL
IC50	17.0 nM	PMID20402514	BindingDB,ChEMBL
Intrinsic activity	0.6 -	PMID24900851	ChEMBL
Intrinsic activity	1.0 -	PMID20504	ChEMBL
Kd	109.65 nM	PMID25592716	ChEMBL
Kd	110.0 nM	PMID25592716	BindingDB
Kd	245.0 nM	PMID25592716	BindingDB
Kd	245.47 nM	PMID25592716	ChEMBL
Kd	1160.0 nM	PMID19168263	BindingDB,ChEMBL
Ki	2398.83 nM	PMID7915318	BindingDB
pA50	6.7 -	PMID24900851	ChEMBL
TIME	0.05 hr	PMID24900851	ChEMBL
TIME	0.4667 hr	PMID20402514	ChEMBL
TIME	0.9 hr	PMID20402514	ChEMBL

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