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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL230943
Molecular formulaC27H31N3O2
IUPAC nameN-[1-[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]piperidin-4-yl]-N-phenylpropanamide
Molecular weight429.564
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.1
Synonyms(S)-N-(1-(2-amino-3-(naphthalen-2-yl)propanoyl)piperidin-4-yl)-N-phenylpropionamide
BDBM50206651
Inchi KeyAFTDOBSJNHHDAP-VWLOTQADSA-N
Inchi IDInChI=1S/C27H31N3O2/c1-2-26(31)30(23-10-4-3-5-11-23)24-14-16-29(17-15-24)27(32)25(28)19-20-12-13-21-8-6-7-9-22(21)18-20/h3-13,18,24-25H,2,14-17,19,28H2,1H3/t25-/m0/s1
PubChem CID44425373
ChEMBLCHEMBL230943
IUPHARN/A
BindingDB50206651
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4451Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
4454Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
4452Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
4453Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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