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

NameCHEMBL3403188
Molecular formulaC32H31NO7
IUPAC name1-(3-carboxypropyl)-4-oxo-5-[(E)-2-[4-(4-phenoxybutoxy)phenyl]ethenyl]quinoline-3-carboxylic acid
Molecular weight541.6
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.5
SynonymsBDBM50066950
Inchi KeyFKMWHFNAFDBNRL-DTQAZKPQSA-N
Inchi IDInChI=1S/C32H31NO7/c34-29(35)12-7-19-33-22-27(32(37)38)31(36)30-24(8-6-11-28(30)33)16-13-23-14-17-26(18-15-23)40-21-5-4-20-39-25-9-2-1-3-10-25/h1-3,6,8-11,13-18,22H,4-5,7,12,19-21H2,(H,34,35)(H,37,38)/b16-13+
PubChem CID118729614
ChEMBLCHEMBL3403188
IUPHARN/A
BindingDB50066950
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
444921Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
444922Cysteinyl leukotriene receptor 2Q9NS75CYSLTR2Homo sapiens (Human)346

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