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

NameCHEMBL303278
Molecular formulaC16H23NO3
IUPAC nameethyl (2S,3S)-3-(3-hydroxyphenyl)-1,2-dimethylpiperidine-3-carboxylate
Molecular weight277.364
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.5
Synonyms3-(3-Hydroxy-phenyl)-1,2-dimethyl-piperidine-3-carboxylic acid ethyl ester
BDBM50019098
Inchi KeyBHQMCQKSZGHLJI-BLLLJJGKSA-N
Inchi IDInChI=1S/C16H23NO3/c1-4-20-15(19)16(9-6-10-17(3)12(16)2)13-7-5-8-14(18)11-13/h5,7-8,11-12,18H,4,6,9-10H2,1-3H3/t12-,16+/m0/s1
PubChem CID44303768
ChEMBLCHEMBL303278
IUPHARN/A
BindingDB50019098
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
23976Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
23974Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
23975Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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