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	Alpha-2B adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra2b
Synonym	ADRA2L1 alpha2B-adrenoceptor alpha2B alpha2-C2 alpha-2BAR alpha-2B adrenoreceptor Alpha-2B adrenoceptor Adra-2b adrenergic receptor Adrenergic alpha2B- receptor class III ADRA2RL1 alpha-2B adrenergic receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	453
Amino acid sequence	MSGPTMDHQEPYSVQATAAIASAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFWRAWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQRPEPRGLPQCELNQEAWYILASSIGSFFAPCLIMILVYLRIYVIAKRSHCRGLGAKRGSGEGESKKPQPVAGGVPTSAKVPTLVSPLSSVGEANGHPKPPREKEEGETPEDPEARALPPTWSALPRSGQGQKKGTSGATAEEGDEEDEEEVEECEPQTLPASPASVCNPPLQQPQTSRVLATLRGQVLLGKNVGVASGQWWRRRTQLSREKRFTFVLAVVIGVFVVCWFPFFFSYSLGAICPQHCKVPHGLFQFFFWIGYCNSSLNPVIYTVFNQDFRRAFRRILCRPWTQTGW
UniProt	P19328
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	CHEMBL266
IUPHAR	26
DrugBank	N/A

Ligand

Name	TAMSULOSIN
Molecular formula	C20H28N2O5S
IUPAC name	5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
Molecular weight	408.513
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.7
Synonyms	API0010078 CHEMBL836 DRHKJLXJIQTDTD-OAHLLOKOSA-N FT-0601581 KS-00000L19 (-)-Tamsulosin RT-024223 106133-20-4 Tamsulon 5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzenesulfonamide Tamsulosine [INN-French] 814-EP2295427A1 AC1L2V76 Benzenesulfonamide, 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxy-, (R)- CTK8B7795 Flomax Harnal-D MolPort-003-850-388 (R)-5-(2-((2-(2-Ethoxyphenoxy)ethyl)amino)-propyl)-2-methoxybenzenesulfonamide SR-05000001519 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide Tamsulosin (INN) 5-{(2R)-2-[(2-{[2-(ethyloxy)phenyl]oxy}ethyl)amino]propyl}-2-(methyloxy)benzenesulfonamide UNII-G3P28OML5I 814-EP2314587A1 AK-78696 CHEBI:9398 Flowmax HY-B0661 PubChem21320 (r)-5-[2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxy-benzenesulfonamide STK626950 5-[(2R)-2-[[2-(2-ethoxyphenoxy)ethyl]amino]propyl]-2-methoxybenzene-sulfonamide Tamsulosina [INN-Spanish] 814-EP2270011A1 ZINC1530694 AB01275521-01 AN-10808 AX8041134 Contiflo OD DTXSID3023631 G3P28OML5I LS-31578 (-)-YM617 SCHEMBL34378 133T204 Tamsulon (TN) 5-[(2S)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide Tamsulosinum 814-EP2298767A1 ACT02653 BIDD:GT0261 D05MBZ Flomax (TN) HMS2090P15 NCGC00167442-01 (R)-5-(2-((2-(2-Ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide SR-05000001519-1 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide Tamsulosin [INN:BAN] Urimax (TN) A801388 AKOS005266643 ANW-58646 DB00706 FT-0082894 KB-210214 Q-101875 (r)-tamsulosin Tamsolusin 5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzene-1-sulfonamide Tamsulosine 814-EP2295426A1 AB1008589 BDBM50060964 CS-2896 EBD36303 GTPL488 MLS006011810 (r)-(-)-tamsulosin SMR004703489 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide Tamsulosinum [INN-Latin] 814-EP2305254A1 AJ-26680 C07124 D08560 Flomaxtra (TN) HSDB 7744 NCGC00167442-02 (r)-5-(2-(2-(2-ethoxyphenoxy)ethylamino)propyl)-2-methoxybenzenesulfonamide ST24035500 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide Tamsulosina 814-EP2269989A1 YM-617 A835382 Amsulosin [ Show all ]
Inchi Key	DRHKJLXJIQTDTD-OAHLLOKOSA-N
Inchi ID	InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
PubChem CID	129211
ChEMBL	CHEMBL836
IUPHAR	488
BindingDB	50060964
DrugBank	DB00706
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	86.0 %	PMID10841797	ChEMBL
Ki	6.8 nM	PMID9379432	BindingDB,ChEMBL
Ki	80.0 nM	PMID10841797	BindingDB,ChEMBL

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