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

NameUNII-F156J3SXVX
Molecular formulaC23H31N3O3
IUPAC name(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]propanamide
Molecular weight397.519
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP3.1
Synonyms(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(R)-1-(3-phenyl-propylcarbamoyl)-ethyl]-propionamide
123689-66-7
2,6-Dimethyl-L-tyrosyl-N-(3-phenylpropyl)-D-alaninamide
2,6-Dimethyltyrosyl-N-(3-phenylpropyl)alaninamide
2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-(3-phenyl-propylcarbamoyl)-ethyl]-propionamide
[ Show all ]
Inchi KeyDGIVTTGQFOQCPP-UTKZUKDTSA-N
Inchi IDInChI=1S/C23H31N3O3/c1-15-12-19(27)13-16(2)20(15)14-21(24)23(29)26-17(3)22(28)25-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,17,21,27H,7,10-11,14,24H2,1-3H3,(H,25,28)(H,26,29)/t17-,21+/m1/s1
PubChem CID9824220
ChEMBLCHEMBL311145
IUPHARN/A
BindingDB50001850
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
59303Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
59302Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
59304Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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