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

NameCHEMBL332422
Molecular formulaC31H32N2O4
IUPAC nameethyl (E)-3-[1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]prop-2-enoate
Molecular weight496.607
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.7
SynonymsBDBM50053240
SCHEMBL9022627
1-[2-Oxo-2-(methylphenethylamino)ethyl]-5-(benzyloxy)-1H-indole-3-propenoic acid ethyl ester
(E)-3-{5-Benzyloxy-1-[(methyl-phenethyl-carbamoyl)-methyl]-1H-indol-3-yl}-acrylic acid ethyl ester
Inchi KeyCRVNOZOIFJFGRX-SAPNQHFASA-N
Inchi IDInChI=1S/C31H32N2O4/c1-3-36-31(35)17-14-26-21-33(22-30(34)32(2)19-18-24-10-6-4-7-11-24)29-16-15-27(20-28(26)29)37-23-25-12-8-5-9-13-25/h4-17,20-21H,3,18-19,22-23H2,1-2H3/b17-14+
PubChem CID10625086
ChEMBLCHEMBL332422
IUPHARN/A
BindingDB50053240
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
49148Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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