Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

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.
Go back to previous page.

GPCR

Name	Beta-2 adrenergic receptor
Species	Canis lupus familiaris (Dog)
Gene	ADRB2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	415
Amino acid sequence	MGQPANRSVFLLAPNGSHAPDQGDSQERSEAWVVGMGIVMSLIVLAIVFGNVLVITAIARFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHQEAINCYAKETCCDFFTNQAYAIASSIVSFYLPLVVMVFVYSRVFQVAQRQLQKIDRSEGRFHAQNLSQVEQDGRSGHGHRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIPKEVYILLNWVGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSNNSNSRSDYAGEHSGCHLGQEKDSELLCEDPPGTEDRQGTVPSDSVDSQGRNCSTNDSLL
UniProt	P54833
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	CHEMBL2289
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	metoprolol
Molecular formula	C15H25NO3
IUPAC name	1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular weight	267.369
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.9
Synonyms	GTPL553 1-[4-(2-methoxyethyl)phenoxy]-3-propan-2-ylamino-propan-2-ol HSDB 6531 3-[4-(2-methoxyethyl)phenoxy]-1-(propan-2-ylamino)propan-2-ol KB-55044 AB00053499 LOPRESSIDONE AN-15262 Metohexal Beloc Duriles Metrol Betalok NCGC00356981-01 CGP 2175 SCHEMBL4093 CS-3159 (+/-)-1-(Isopropylamino)-3-(p-(beta-methoxyethyl)phenoxy)-2-propanol DSSTox_GSID_23309 1-(Isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]-2-propanol X-3755 SR-01000003148-2 1-Isopropylamino-3-[p-(2-methoxyethyl)phenoxy]-2-propanol H 93/26 (Salt/Mix) 2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)- I01-7125 51384-51-1 Leiras Brand of Metoprolol Succinate or Metoprolol Tartrate AB00053499_23 Lopressor, Toprol-xl AstraZeneca Brand of Seloken Metoprolol succinate Betaloc Minax (TN) BRD-A03623303-045-05-3 Novartis Brand of Metprolol Tartrate CGP2175 D0I2MK (2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol EINECS 253-483-7 Seloken Tartrate, Metoprolol FT-0654603 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)-2-propanol H929 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-, (.+/-.)- Jsp006606 A2878 Lopresoretic AC1L1HKM MCULE-7999715986 BDBM25756 Metoprololum Betaloc-Astra NCGC00021148-04 CCG-204813 Q-201400 CHEMBL13 dl-Metoprolol 1-(Isopropylamino)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol Spesicor Toprol-XL (TN) H 93 26 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol HY-17503 37350-58-6 KS-000022ZD AB00053499-21 Lopressor AN-41293 Beloc-Duriles Metrol (TN) BG-0006 Neobloc CGP-2175 Selo-Zok CTK7B2896 (+/-)-Metoprolol DTXSID2023309 1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol {2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl}(propan-2-yl)amine ST2407314 1-[(1-methylethyl)amino]-3-({4-[2-(methyloxy)ethyl]phenyl}oxy)propan-2-ol H 9326 2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-, (+-)- I06-0125 54163-88-1 Lopresol (Salt/Mix) AB0013365 Loresor BC214891 metoprolol tartarate Betaloc (TN) MolPort-005-938-039 C07202 Preblok CHEBI:6904 (RS)-Metoprolol EINECS 257-166-4 Seloken AstraZeneca Brand Toprol GP-2175E 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol HMS2090B15 KB-215767 A823609 Lopresoretic (Salt/Mix) AKOS005927923 Meijoprolol Beatrolol Metoprololum [INN-Latin] BetalocAstra NCGC00021148-05 CCRIS 4198 SBI-0050706.P004 Corvitol (TN) DSSTox_CID_3309 1-(Isopropylamino)-3-(p-(2-methoxyethyl)phenoxy)-2-propanol Spesikor Tox21_303972 1-(Isopropylamino)-3-[p-(2-methoxyethyl)phenoxy]-2-propanol H 93-26 1-[4-(2-methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol I01-10535 4761AB L000669 AB00053499_22 Lopressor (TN) AstraZeneca Brand of Metaoprolol Tartrate Metoprolol (USAN/INN) BelocDuriles Metroprolol BRD-A03623303-045-02-0 Neobloc (TN) CGP-2175C Selokeen (TN) D02358 (.+/-.)-Metoprolol Dutoprol STL301858 1-[4-(2-METHOXYETHYL)-PHENOXY]-3-[(1-METHYLETHYL)AMINO]-2-PROPANOL H-93/26 2-Propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]- IUBSYMUCCVWXPE-UHFFFAOYSA-N Lopresor AC-19022 LS-122450 BCP09038 Metoprolol [USAN:INN:BAN] Betaloc Astra NCGC00021148-03 CAS-51384-51-1 Presolol DB00264 1-(4-(2-Methoxyethyl)-phenoxy)-3-((1-methylethyl)amino)-2-propanol FT-0602794 Seroken TOPROL-XL [ Show all ]
Inchi Key	IUBSYMUCCVWXPE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
PubChem CID	4171
ChEMBL	CHEMBL13
IUPHAR	553
BindingDB	25756
DrugBank	DB00264
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
ED50	<2.0 mg.kg-1	PMID6138435, PMID6142955	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417