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-3 adrenergic receptor
Species	Mus musculus (Mouse)
Gene	Adrb3
Synonym	beta3-adrenoceptor beta3-adrenergic receptor beta-3 adrenoreceptor Beta-3 adrenoceptor ADRB beta 3-AR atypical beta-adrenoceptor adrenergic receptor Adrb-3 [ Show all ]
Disease	N/A for non-human GPCRs
Length	400
Amino acid sequence	MAPWPHRNGSLALWSDAPTLDPSAANTSGLPGVPWAAALAGALLALATVGGNLLVIIAIARTPRLQTITNVFVTSLAAADLVVGLLVMPPGATLALTGHWPLGETGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGTLVTKRRARAAVVLVWIVSAAVSFAPIMSQWWRVGADAEAQECHSNPRCCSFASNMPYALLSSSVSFYLPLLVMLFVYARVFVVAKRQRHLLRRELGRFSPEESPPSPSRSPSPATGGTPAAPDGVPPCGRRPARLLPLREHRALRTLGLIMGIFSLCWLPFFLANVLRALAGPSLVPSGVFIALNWLGYANSAFNPVIYCRSPDFRDAFRRLLCSYGGRGPEEPRAVTFPASPVEARQSPPLNRFDGYEGARPFPT
UniProt	P25962
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	CHEMBL4030
IUPHAR	30
DrugBank	N/A

Ligand

Name	LEVOBUNOLOL
Molecular formula	C17H25NO3
IUPAC name	5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one
Molecular weight	291.391
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.4
Synonyms	CHEBI:6438 FT-0604397 Levobunolol HCl NCGC00016801-02 UNII-71QSY2UT3G component IXHBTMCLRNMKHZ-LBPRGKRZSA-N 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one Akbeta BRD-K31812033-003-03-7 D00IUG IXHBTMCLRNMKHZ-LBPRGKRZSA-N Levobunololum [INN-Latin] Prestwick1_000847 W-6421A (S)-5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-1(2H)-naphthalenone AC1L21RP AX8246776 C07914 DB01210 LS-175034 SCHEMBL24095 47141-42-4 Ak-beta Betegan (TN) CC-29916 G6317AOI7K Levobunolol [INN:BAN] NCGC00016801-03 UNII-G6317AOI7K 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one AKOS016012242 BSPBio_000833 D08115 KB-211580 liquifilm Prestwick2_000847 W-7000A (S)-5-(3-(tert-Butylamino)-2-hydroxypropoxy)-3,4-dihydronaphthalen-1(2H)-one AC1Q6JRH beta-site CAS-27912-14-7 DTXSID1043833 Levobunolol (INN) NCGC00016801-01 SPBio_002754 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-1-one AK-Beta (TN) BPBio1_000917 CCRIS 4375 CHEMBL1201237 GTPL570 Levobunololum Prestwick0_000847 W-6412A (-)-Bunolol API0003156 C-18293 l-Bunolol Liquifilm (TN) Prestwick3_000847 ZINC3830339 1(2H)-Naphthalenone, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-3,4-dihydro-, (S)- AJ-45756 Betagan CAS-47141-41-3 [ Show all ]
Inchi Key	IXHBTMCLRNMKHZ-LBPRGKRZSA-N
Inchi ID	InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1
PubChem CID	39468
ChEMBL	CHEMBL1201237
IUPHAR	570
BindingDB	N/A
DrugBank	DB01210
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	501.187 - 630.958 nM	PMID14744619	IUPHAR

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