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

You can:

Ligand

Nameclenbuterol
Molecular formulaC12H18Cl2N2O
IUPAC name1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol
Molecular weight277.189
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.2
Synonyms(-)-4-amino-alpha-[(tert-butylamino)methyl]-3,5-dichlorobenzyl alcohol
KBioSS_002044
1-(4-amino-3,5-dichlorophenyl)-2-[(1,1-dimethylethyl)amino]ethanol
NCGC00163150-04
4-Amino-alpha-[(tert-butylamino)methyl]-3,5-dichlorobenzyl alcohol
[ Show all ]
Inchi KeySTJMRWALKKWQGH-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
PubChem CID2783
ChEMBLCHEMBL49080
IUPHARN/A
BindingDB27958
DrugBankDB01407

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3227905-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
322793Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
322789Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
322791Beta-2 adrenergic receptorQ28044ADRB2Bos taurus (Bovine)418
322792Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418
322794Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
322795Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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