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

NameMLS000076513
Molecular formulaC27H34N2O7
IUPAC name(2,3-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone;oxalic acid
Molecular weight498.576
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogPNone
SynonymsSMR000012888
AC1LCRI2
regid852245
MLS000889475
CHEMBL1451671
[ Show all ]
Inchi KeyAFNWBTRMYIHBIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32N2O3.C2H2O4/c1-29-23-10-6-9-22(24(23)30-2)25(28)27-17-15-26(16-18-27)21-13-11-20(12-14-21)19-7-4-3-5-8-19;3-1(4)2(5)6/h3-10,20-21H,11-18H2,1-2H3;(H,3,4)(H,5,6)
PubChem CID654860
ChEMBLCHEMBL1451671
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
4315Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
4316Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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