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

NameCHEMBL68407
Molecular formulaC25H30INO5
IUPAC name(1-methylquinolin-1-ium-6-yl) 4-hexoxy-3,5-dimethoxybenzoate;iodide
Molecular weight551.421
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyATJKSQLROOSVPY-UHFFFAOYSA-M
Inchi IDInChI=1S/C25H30NO5.HI/c1-5-6-7-8-14-30-24-22(28-3)16-19(17-23(24)29-4)25(27)31-20-11-12-21-18(15-20)10-9-13-26(21)2;/h9-13,15-17H,5-8,14H2,1-4H3;1H/q+1;/p-1
PubChem CID10437574
ChEMBLCHEMBL68407
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14009Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342

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