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

NameBDBM206777
Molecular formulaC15H25NO3
IUPAC name5-[(1S)-2-[[(2R)-heptan-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol
Molecular weight267.369
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP2.7
SynonymsUS9492405, (S,R)-6
(S,R)- 6
Inchi KeyDFGXCGQPCWUBML-IAQYHMDHSA-N
Inchi IDInChI=1S/C15H25NO3/c1-3-4-5-6-11(2)16-10-15(19)12-7-13(17)9-14(18)8-12/h7-9,11,15-19H,3-6,10H2,1-2H3/t11-,15-/m1/s1
PubChem CID16737587
ChEMBLN/A
IUPHARN/A
BindingDB206777
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
559094Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
559093Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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