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

NameCHEMBL2387198
Molecular formulaC23H34N2O
IUPAC name1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
Molecular weight354.538
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50434639
SCHEMBL3869848
Inchi KeyBEWDVGPOPIFWLH-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H34N2O/c1-17(2)18-7-10-20(11-8-18)24-15-13-21(14-16-24)25-22-6-4-3-5-19(22)9-12-23(25)26/h3-6,17-18,20-21H,7-16H2,1-2H3
PubChem CID22562137
ChEMBLCHEMBL2387198
IUPHARN/A
BindingDB50434639
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
21979Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
21978Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
21980Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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