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

NameCHEMBL283065
Molecular formulaC25H25NO2
IUPAC name(6aR)-11-(2,6-dimethoxyphenyl)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Molecular weight371.48
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.1
SynonymsBDBM50098546
(6aR)-11-(2,6-Dimethoxyphenyl)-4,5,6a,7-tetrahydro-6-methyl-6H-dibenzo[de,g]quinoline
(R)-11-(2,6-Dimethoxy-phenyl)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Inchi KeyCCSCYJFJDDPPKK-HXUWFJFHSA-N
Inchi IDInChI=1S/C25H25NO2/c1-26-14-13-16-7-4-9-18-23-17(15-20(26)24(16)18)8-5-10-19(23)25-21(27-2)11-6-12-22(25)28-3/h4-12,20H,13-15H2,1-3H3/t20-/m1/s1
PubChem CID10571274
ChEMBLCHEMBL283065
IUPHARN/A
BindingDB50098546
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
389215-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
389235-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
38922D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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