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	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	Dichloroisoproterenol
Molecular formula	C11H15Cl2NO
IUPAC name	1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol
Molecular weight	248.147
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.3
Synonyms	PDSP2_000153 1-(3,4-Dichlorophenyl)-2-(isopropylamino)ethanol 3,4-Dichloro-alpha-(isopropylaminomethyl)benzyl alcohol BRN 2807251 Dichloroisoprenaline VKMGSWIFEHZQRS-UHFFFAOYSA-N 2-isopropylamino-1-(3,4-dichlorophenyl)-ethanol AC1L1L6H D0XX5S InChI=1/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3 N-(beta-(3,4-Dichlorophenyl)-beta-hydroxyethyl)isopropylamine 1-(3,4-Dichloro-phenyl)-2-isopropylamino-ethanol 3,4-Dichlor-isoproterenol [German] BENZYL ALCOHOL, 3,4-DICHLORO-alpha-((ISOPROPYLAMINO)METHYL)- Dichlorisoprenaline [German] SCHEMBL613952 1-(3,4-dichlorophenyl)-2-(propan-2-ylamino)ethanol 2-isopropylamino-1-(3,4-dichlorophenyl)ethanol AKOS009157165 DB12803 LS-42815 PDSP1_000154 1-(3,4-Dichloro-phenyl)-2-isopropylamino-ethanol(Di chloroisoproterenol) 3,4-Dichloro-alpha-(((1-methylethyl)amino)methyl)benzenemethanol beta-Hydroxy-N-isopropyl-3,4-dichlorophenethylamine Dichlorisoproterenol VKMGSWIFEHZQRS-UHFFFAOYSA- 1-(3,4-Dichlorophenyl)-2-isopropylaminoethanol 59-61-0 CHEMBL30816 Dichloroisoproterenol,(+/-) MCULE-5460536983 1 (3,4 dichlorophenyl) 2 isopropylaminoethanol 3,4-Dichlor-isoproterenol BDBM50036835 Dichlorisoprenaline [ Show all ]
Inchi Key	VKMGSWIFEHZQRS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
PubChem CID	5806
ChEMBL	CHEMBL30816
IUPHAR	N/A
BindingDB	50036835
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	140.0 nM	PMID7910217	BindingDB,ChEMBL

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