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

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

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

You can:

Ligand

NameM3A6S
Molecular formulaC19H21NO7S
IUPAC name[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-yl] sulfate
Molecular weight407.437
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP-1.8
SynonymsCHEMBL214040
BDBM50189252
Inchi KeyAVTOGXGTGWUJBM-SSTWWWIQSA-N
Inchi IDInChI=1S/C19H21NO7S/c1-10(21)25-14-5-3-11-9-13-12-4-6-15(27-28(22,23)24)18-19(12,7-8-20(13)2)16(11)17(14)26-18/h3-6,12-13,15,18H,7-9H2,1-2H3,(H,22,23,24)/t12-,13+,15-,18-,19-/m0/s1
PubChem CID44414842
ChEMBLCHEMBL214040
IUPHARN/A
BindingDB50189252
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
15630Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
15632Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
15633Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
15634Nociceptin receptorP47748OPRL1Cavia porcellus (Guinea pig)370

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