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

NameCHEMBL1081131
Molecular formulaC26H24N2O3
IUPAC name2-[4-[2-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethyl]phenyl]benzoic acid
Molecular weight412.489
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50313725
4''-(2-(5-(4-methoxybenzyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
Inchi KeyCXKIPYCVARNYCW-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24N2O3/c1-31-22-13-8-19(9-14-22)16-21-17-27-25(28-21)15-10-18-6-11-20(12-7-18)23-4-2-3-5-24(23)26(29)30/h2-9,11-14,17H,10,15-16H2,1H3,(H,27,28)(H,29,30)
PubChem CID46881963
ChEMBLCHEMBL1081131
IUPHARN/A
BindingDB50313725
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
52872Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
52873Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399

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