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

You can:

Ligand

NameCHEMBL305808
Molecular formulaC19H26N2O6S
IUPAC nameN-[2-hydroxy-5-[(2R)-2-hydroxy-3-[2-(4-methoxyphenyl)ethylamino]propoxy]phenyl]methanesulfonamide
Molecular weight410.485
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.4
SynonymsBDBM50290495
N-(2-Hydroxy-5-{2-hydroxy-3-[2-(4-methoxy-phenyl)-ethylamino]-propoxy}-phenyl)-methanesulfonamide
Inchi KeyBGJYDTIRALRSBD-OAHLLOKOSA-N
Inchi IDInChI=1S/C19H26N2O6S/c1-26-16-5-3-14(4-6-16)9-10-20-12-15(22)13-27-17-7-8-19(23)18(11-17)21-28(2,24)25/h3-8,11,15,20-23H,9-10,12-13H2,1-2H3/t15-/m1/s1
PubChem CID44311779
ChEMBLCHEMBL305808
IUPHARN/A
BindingDB50290495
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23070Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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