Zhang Lab

University of Michigan

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 ●DMFold ●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	Rattus norvegicus (Rat)
Gene	Adrb2
Synonym	beta2-adrenoceptor Beta-2 adrenoreceptor Beta-2 adrenoceptor beta-2 adrenergic receptor beta 2-AR B2AR adrenoceptor beta 2, surface adrenergic receptor ADRBR ADRB2R Adrb-2 Gpcr7 [ Show all ]
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MEPHGNDSDFLLAPNGSRAPGHDITQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKQAIDCYAKETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNLSQVEQDGRSGHGLRSSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRANLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNGRTDYTGEQSAYQLGQEKENELLCEEAPGMEGFVNCQGTVPSLSIDSQGRNCNTNDSPL
UniProt	P10608
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	CHEMBL3754
IUPHAR	29
DrugBank	N/A

Ligand

Name	alprenolol
Molecular formula	C15H23NO2
IUPAC name	1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
Molecular weight	249.354
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.1
Synonyms	Oprea1_368995 AKOS016376219 SCHEMBL34636 ALPRENOLOL,(+) Tox21_110084 Aptol (TN) CAS-13655-52-2 D01VAB DTXSID0045127 IDI1_000015 (RS)-Alprenolol;dl-Alprenolol L000961 1-isopropylamino-3-(2-allyl)phenoxypropan-2-ol NCGC00015099-06 AB00053431-13 Prestwick1_000250 allprenolol Spectrum2_001814 Alprenololum [INN-Latin] Yobir (TN) BPBio1_000044 DB00866 GTPL563 KBio2_003216 1-(2-Allylphenoxy)-3-isopropylamino-2-propanol MCULE-8135107027 13655-52-2 NCGC00015099-11 NCGC00089741-04 AC1Q57NL Regletin (TN) Alprenolol (INN) Spectrum5_001414 Aprenololo BSPBio_000040 CTK0H3293 DSSTox_GSID_45127 HMS2089G06 (-)-alprenolol hydrate d-tartrate KBioGR_001652 1-(o-Allylphenoxy)-3-isopropylamino)-2-propanol NCGC00015099-04 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyl)phenoxy]- 655A522 PAZJSJFMUHDSTF-UHFFFAOYSA-N Alfeprol SPBio_001827 ALPRENOLOL,(-) Tox21_110084_1 Atenenol CCG-204247 D07156 Duriles (TN) KBio1_000015 Lopac0_000152 1-[2-(propen-2-ylphenoxy)]-3-(isopropylamino)propan-2-ol NCGC00015099-08 AB00053431_14 Prestwick2_000250 Alpheprol Spectrum3_001066 API0006555 {2-hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl}(propan-2-yl)amine BRD-A00993607-003-05-5 CHEMBL266195 DivK1c_000015 Gubernal (TN) KBio2_005784 1-(isopropylamino)-3-(2-allylphenoxy)-2-propanol MolPort-003-717-938 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)- NCGC00089741-02 NINDS_000015 ACMC-1C1BC SBI-0050140.P003 Alprenolol [INN:BAN] Spectrum_000168 Aptine (TN) BSPBio_002652 d-isopropylamino-1(allyl 2'phenoxy)-3 propanol DSSTox_RID_80690 HY-B1517 (RS)-1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol KBioSS_000648 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol NCGC00015099-05 AB00053431 Prestwick0_000250 Alfeprol [Russian] SPBio_002259 Alprenololum Yobir BDBM25764 CHEBI:51211 EINECS 237-140-9 KBio2_000648 1-(2-Allylphenoxy)-3-(isopropylamino)-2-propanol # LS-121647 122259-67-0 NCGC00015099-09 NCGC00089741-03 AC1L1CYO Prestwick3_000250 Spectrum4_001216 Apllobal (TN) BRD-A00993607-003-15-4 CS-5734 DSSTox_CID_25127 H-56-28 (-)-1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol KBio3_001872 1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol NCGC00015099-03 2-Propanol, 1-(o-allylphenoxy)-3-(isopropylamino)- [ Show all ]
Inchi Key	PAZJSJFMUHDSTF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
PubChem CID	2119
ChEMBL	CHEMBL266195
IUPHAR	563
BindingDB	25764
DrugBank	DB00866
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kapp	0.02 uM	PMID37339	ChEMBL
Ki	0.5 nM	PMID8584042	BindingDB
Ki	0.58 nM	PMID1968985	BindingDB

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218