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	Bos taurus (Bovine)
Gene	ADRB2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGQPGNRSVFLLAPNASHAPDQNVTLERDEAWVVGMGILMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGACHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYLAITSPFKYQCLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRASHKEAINCYAKETCCDFFTNQPYAIASSIVSFYLPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNVSQVEQDGRSGLGQRRTSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIKDNLIRKEIYILLNWLGYINSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGCSSNSNDRTDYTGEQSGYHLGEEKDSELLCEDPPGTENFVNQQGTVPSDSIDSQGRNCSTNDSLL
UniProt	Q28044
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	CHEMBL3373
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Clenproperol
Molecular formula	C11H16Cl2N2O
IUPAC name	1-(4-amino-3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol
Molecular weight	263.162
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.0
Synonyms	4-Amino-3,5-dichloro-.alpha.-[(isopropylamino)methyl]benzyl alcohol ACM38339116 MolPort-044-724-237 1-(4-Amino-3,5-dichloro-)-2-isopropylaminoethanol 4-Amino-3,5-dichloro-\|A-[[(1-methylethyl)amino]methyl]benzenemethanol BDBM50421731 Clenproperol, VETRANAL(TM), analytical standard 1-(4-amino-3,5-dichlorophenyl)-2-(propan-2-ylamino)ethanol AC1Q3LZR Benzenemethanol,4-amino-3,5-dichloro-R- [[(1-methylethyl)amino]methyl]- JXUDZCJTCKCTQK-UHFFFAOYSA-N 4-Amino-3,5-dichloro-alpha-(((1-methylethyl)amino)methyl)benzenemethanol AKOS030242033 CHEMBL1159713 NAB 277 1-(4-AMINO-3,5-DICHLORO-PHENYL)-2-ISOPROPYLAMINO-ETHANOL Benzenemethanol, 4-amino-3,5-dichloro-.alpha.-[[(1-methylethyl)amino]methyl]- CTK4H9783 38339-11-6 ACM1173021094 BRN 2376535 LS-30613 4-Amino-3,5-dichloro-\|A-[(isopropylamino)methyl]benzylalcohol BCP24094 SCHEMBL11188716 1-(4-AMINO-3,5-DICHLORO-PHENYL)-2-ISOPROPYLAMINO-ETHANOL(CLENPROPEROL) AC1L528O Benzenemethanol, 4-amino-3,5-dichloro-alpha-(((1-methylethyl)amino)methyl)- FT-0665087 [ Show all ]
Inchi Key	JXUDZCJTCKCTQK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H16Cl2N2O/c1-6(2)15-5-10(16)7-3-8(12)11(14)9(13)4-7/h3-4,6,10,15-16H,5,14H2,1-2H3
PubChem CID	217246
ChEMBL	CHEMBL1159713
IUPHAR	N/A
BindingDB	50421731
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
-Delta G	10.69 -	PMID2836587	ChEMBL
-Log KD	7.54 -	PMID2993621	ChEMBL
Kd	58.0 nM	PMID2993621	BindingDB,ChEMBL

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