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

NameCHEMBL11349
Molecular formulaC27H18BrNO4
IUPAC name5-bromo-2-hydroxy-3-[(E)-3-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid
Molecular weight500.348
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.7
Synonyms5-bromo-2-hydroxy-3-(3-(3-(2-(quinolin-2-yl)vinyl)phenyl)acryloyl)benzoic acid
BDBM50057217
SCHEMBL6963468
5-Bromo-2-hydroxy-3-{(E)-3-[3-((E)-2-quinolin-2-yl-vinyl)-phenyl]-acryloyl}-benzoic acid
Inchi KeyFIJKMECDVUAIRF-BLTLMDCKSA-N
Inchi IDInChI=1S/C27H18BrNO4/c28-20-15-22(26(31)23(16-20)27(32)33)25(30)13-9-18-5-3-4-17(14-18)8-11-21-12-10-19-6-1-2-7-24(19)29-21/h1-16,31H,(H,32,33)/b11-8+,13-9+
PubChem CID10649046
ChEMBLCHEMBL11349
IUPHARN/A
BindingDB50057217
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
79083Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417