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	Canis lupus familiaris (Dog)
Gene	ADRB3
Synonym	Beta-3 adrenoceptor Beta-3 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	405
Amino acid sequence	MAPWPHGNGSVASWPAAPTPTPDAANTSGLPGAPWAVALAGALLALEVLATVGGNLLVIVAIARTPRLQTMTNVFVTSLATADLVVGLLVVPPGATLALTGRWPLGATGCELWTSVDVLCVTASIETLCALAVDRYLAVTNPLRYGALVTKRRARAAVVLVWVVSAAVSFAPIMSKWWRVGADAEAQRCHSNPHCCAFASNIPYALLSSSVSFYLPLLVMLFVYARVFLVATRQLRLLRRELGRFPPAESPPAASRSRSPGPARRCASPAAVPSDRLRPARLLPLREHRALRTLGLIVGTFTLCWLPFFVANVMRALGGPSLVPSPALLALNWLGYANSAFNPLIYCRSPDFRSAFRRLLCRCRREEHRAAASPPGDPSAAPAALTSPAESSRCQALDGASWGIS
UniProt	O02662
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	CHEMBL4400
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL59765
Molecular formula	C23H28ClNO4
IUPAC name	ethyl 2-[[(6S)-6-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetate
Molecular weight	417.93
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.3
Synonyms	FK-175 SCHEMBL8766572 FK175 BDBM50240563 {(S)-8-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yloxy}-acetic acid ethyl ester ethyl 2-((S)-8-((R)-2-(3-chlorophenyl)-2-hydroxyethylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yloxy)acetate fr-149175 [ Show all ]
Inchi Key	QFMUIHJMDMGJAY-UNMCSNQZSA-N
Inchi ID	InChI=1S/C23H28ClNO4/c1-2-28-23(27)15-29-21-10-9-16-5-4-8-20(12-18(16)13-21)25-14-22(26)17-6-3-7-19(24)11-17/h3,6-7,9-11,13,20,22,25-26H,2,4-5,8,12,14-15H2,1H3/t20-,22-/m0/s1
PubChem CID	9803988
ChEMBL	CHEMBL59765
IUPHAR	N/A
BindingDB	50240563
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	30.0 nM	PMID18307290, PMID18651730, PMID18553954	BindingDB,ChEMBL
Intrinsic activity	0.91 -	PMID18553954	ChEMBL
Ratio	0.91 -	PMID18307290	ChEMBL

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