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 DMFold 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

NameCHEMBL36607
Molecular formulaC32H36O6S
IUPAC name4-[(Z)-8-carboxy-1-[4-(4-phenoxybutoxy)phenyl]oct-2-en-4-yl]sulfanylbenzoic acid
Molecular weight548.694
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP7.3
SynonymsN/A
Inchi KeyGVIMCEBGNASKLU-JYRVWZFOSA-N
Inchi IDInChI=1S/C32H36O6S/c33-31(34)14-5-4-12-29(39-30-21-17-26(18-22-30)32(35)36)13-8-9-25-15-19-28(20-16-25)38-24-7-6-23-37-27-10-2-1-3-11-27/h1-3,8,10-11,13,15-22,29H,4-7,9,12,14,23-24H2,(H,33,34)(H,35,36)/b13-8-
PubChem CID44285293
ChEMBLCHEMBL36607
IUPHARN/A
BindingDBN/A
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
106284Cysteinyl leukotriene receptor 1Q2NNR5CYSLTR1Cavia porcellus (Guinea pig)340
106285Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337

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