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

NameCHEMBL3809106
Molecular formulaC18H19Cl2NO4
IUPAC name4,6-dichloro-3-[(E)-3-(4-methylpentoxy)-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid
Molecular weight384.253
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50172353
Inchi KeyBIAMWIJIRVZOIU-AATRIKPKSA-N
Inchi IDInChI=1S/C18H19Cl2NO4/c1-10(2)4-3-7-25-15(22)6-5-12-16-13(20)8-11(19)9-14(16)21-17(12)18(23)24/h5-6,8-10,21H,3-4,7H2,1-2H3,(H,23,24)/b6-5+
PubChem CID127044872
ChEMBLCHEMBL3809106
IUPHARN/A
BindingDB50172353
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522296Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
522297Cysteinyl leukotriene receptor 2Q9NS75CYSLTR2Homo sapiens (Human)346

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