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

NameCHEMBL94442
Molecular formulaC29H38N4O4
IUPAC nameethyl 3-[2-decoxy-5-[3-(2H-tetrazol-5-yl)benzoyl]phenyl]propanoate
Molecular weight506.647
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP7.4
Synonyms2-(Decyloxy)-5-[3-(1H-tetrazol-5-yl)benzoyl]benzenepropanoic acid ethyl ester
Inchi KeyATZGQIXMAWHQQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H38N4O4/c1-3-5-6-7-8-9-10-11-19-37-26-17-15-24(20-22(26)16-18-27(34)36-4-2)28(35)23-13-12-14-25(21-23)29-30-32-33-31-29/h12-15,17,20-21H,3-11,16,18-19H2,1-2H3,(H,30,31,32,33)
PubChem CID14739669
ChEMBLCHEMBL94442
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14443Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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