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

NameCHEMBL3715844
Molecular formulaC30H23ClFN3O4
IUPAC name2-[[6-(4-chlorophenyl)-1H-benzimidazole-2-carbonyl]amino]-3-[4-[(4-fluorophenyl)methoxy]phenyl]propanoic acid
Molecular weight543.979
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP6.5
SynonymsSCHEMBL13344531
Inchi KeyLGQRYHJFERLFNG-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H23ClFN3O4/c31-22-8-5-20(6-9-22)21-7-14-25-26(16-21)34-28(33-25)29(36)35-27(30(37)38)15-18-3-12-24(13-4-18)39-17-19-1-10-23(32)11-2-19/h1-14,16,27H,15,17H2,(H,33,34)(H,35,36)(H,37,38)
PubChem CID59335873
ChEMBLCHEMBL3715844
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
526860Probable G-protein coupled receptor 34Q9UPC5GPR34Homo sapiens (Human)381

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