Home Research COVID-19 Services Publications People Teaching Job Opening 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 EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 FASPR

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

Name2-(3,4-dichlorophenyl)-N-methyl-N-[(2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
Molecular formulaC19H26Cl2N2O
IUPAC name2-(3,4-dichlorophenyl)-N-methyl-N-[(2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
Molecular weight369.33
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.4
Synonyms2-(3,4-Dichloro-phenyl)-N-methyl-N-(2-pyrrolidin-1-yl-cyclohexyl)-acetamide; compound with methanesulfonic acid
2-(3,4-dichlorophenyl)-N-methyl-N-[(2r)-2-pyrrolidin-1-ylcyclohexyl] acetamide
67198-13-4
AC1L2A3Y
AC1Q3O8J
[ Show all ]
Inchi KeyVQLPLYSROCPWFF-QRWMCTBCSA-N
Inchi IDInChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17?,18-/m1/s1
PubChem CID68616
ChEMBLN/A
IUPHARN/A
BindingDB50169774
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
361720Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
462334Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
361715Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
361716Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
361718Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
361719Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
361721Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
556982Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
361717Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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