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

NameCHEMBL76527
Molecular formulaC23H33N3O2
IUPAC name2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-(3-phenylpropylamino)propan-2-yl]propanamide
Molecular weight383.536
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP3.3
SynonymsBDBM50001848
2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-methyl-2-(3-phenyl-propylamino)-ethyl]-propionamide
Inchi KeyBWGNSQHTELSYGX-ZZWBGTBQSA-N
Inchi IDInChI=1S/C23H33N3O2/c1-16-12-20(27)13-17(2)21(16)14-22(24)23(28)26-18(3)15-25-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,25,27H,7,10-11,14-15,24H2,1-3H3,(H,26,28)/t18-,22?/m1/s1
PubChem CID44314695
ChEMBLN/A
IUPHARN/A
BindingDB50001848
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
34422Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
34421Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
34423Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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