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

NameCHEMBL538308
Molecular formulaC22H31ClN2OS
IUPAC name2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]acetamide;hydrochloride
Molecular weight407.013
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogPNone
SynonymsSCHEMBL10366871
Inchi KeyAIMUWHRXBWHERH-GZJHNZOKSA-N
Inchi IDInChI=1S/C22H30N2OS.ClH/c1-23(19-9-3-4-10-20(19)24-13-5-2-6-14-24)22(25)16-17-8-7-11-21-18(17)12-15-26-21;/h7-8,11-12,15,19-20H,2-6,9-10,13-14,16H2,1H3;1H/t19-,20-;/m1./s1
PubChem CID18607188
ChEMBLCHEMBL538308
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
441925Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
6355Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417