Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL2048971
Molecular formulaC23H29NO5
IUPAC nameN-methyl-3-phenyl-N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]propan-1-amine;oxalic acid
Molecular weight399.487
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyCWOVTUFCAAFWMB-NSPIFIKESA-N
Inchi IDInChI=1S/C21H27NO.C2H2O4/c1-22(16-8-14-20-10-4-2-5-11-20)17-19-23-18-9-15-21-12-6-3-7-13-21;3-1(4)2(5)6/h2-7,9-13,15H,8,14,16-19H2,1H3;(H,3,4)(H,5,6)/b15-9+;
PubChem CID70684166
ChEMBLCHEMBL2048971
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
52282Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
52280Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
52281Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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