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

NameMLS001171581
Molecular formulaC20H25NO5
IUPAC name1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenylethyl)amino]propoxy]-3-methoxyphenyl]ethanone
Molecular weight359.422
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.3
Synonyms1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenylethyl)amino]propoxy]-3-methoxyphenyl]ethanone;oxalic acid
BDBM96778
1-[4-[2-hydroxy-3-[(2-hydroxy-2-phenyl-ethyl)amino]propoxy]-3-methoxy-phenyl]ethanone;oxalic acid
ethanedioic acid;1-[3-methoxy-4-[2-oxidanyl-3-[(2-oxidanyl-2-phenyl-ethyl)amino]propoxy]phenyl]ethanone
SMR000588077
[ Show all ]
Inchi KeyAFDOVFBOEGXHJE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25NO5/c1-14(22)16-8-9-19(20(10-16)25-2)26-13-17(23)11-21-12-18(24)15-6-4-3-5-7-15/h3-10,17-18,21,23-24H,11-13H2,1-2H3
PubChem CID4851071
ChEMBLN/A
IUPHARN/A
BindingDB96778
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
4058Trace amine-associated receptor 1Q96RJ0TAAR1Homo sapiens (Human)339

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