Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL118929
Molecular formulaC18H18N2O4
IUPAC name1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
Molecular weight326.352
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.0
SynonymsSCHEMBL9730598
BDBM50042500
1-Hydroxy-1-[(6-phenoxy-2H-1-benzopyran-3-yl)methyl]-3-methylurea
N-hydroxy-N''-methyl-N-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
Inchi KeyADEXLPGNFPLCCW-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18N2O4/c1-19-18(21)20(22)11-13-9-14-10-16(7-8-17(14)23-12-13)24-15-5-3-2-4-6-15/h2-10,22H,11-12H2,1H3,(H,19,21)
PubChem CID14971286
ChEMBLCHEMBL118929
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2197Leukotriene B4 receptor 1Q15722LTB4RHomo sapiens (Human)352

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