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

NameCHEMBL378235
Molecular formulaC20H24ClNO3
IUPAC name[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 3-methoxy-2-methylbenzoate
Molecular weight361.866
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.7
SynonymsN/A
Inchi KeyCCGBEOMIXLDOTG-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H24ClNO3/c1-14-17(6-5-7-18(14)24-4)20(23)25-19(12-13-22(2)3)15-8-10-16(21)11-9-15/h5-11,19H,12-13H2,1-4H3
PubChem CID15983311
ChEMBLCHEMBL378235
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
38530Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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