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

NameCHEMBL3597529
Molecular formulaC34H37NO6
IUPAC name4-[1-(carboxymethyl)-7-[(E)-2-[4-[4-(2-methoxyphenyl)butoxy]phenyl]ethenyl]-2-methylindol-3-yl]butanoic acid
Molecular weight555.671
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP7.1
SynonymsBDBM50104866
Inchi KeyDVCMDMWEEGUIIT-KNTRCKAVSA-N
Inchi IDInChI=1S/C34H37NO6/c1-24-29(12-8-15-32(36)37)30-13-7-11-27(34(30)35(24)23-33(38)39)19-16-25-17-20-28(21-18-25)41-22-6-5-10-26-9-3-4-14-31(26)40-2/h3-4,7,9,11,13-14,16-21H,5-6,8,10,12,15,22-23H2,1-2H3,(H,36,37)(H,38,39)/b19-16+
PubChem CID122183686
ChEMBLCHEMBL3597529
IUPHARN/A
BindingDB50104866
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
471518Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
471519Cysteinyl leukotriene receptor 2Q9NS75CYSLTR2Homo sapiens (Human)346

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