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

NameCHEMBL1222489
Molecular formulaC29H31F3N2O3
IUPAC name7-methoxy-1-(2-methoxyethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)benzimidazole
Molecular weight512.573
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP6.8
Synonyms2-(4-isopropylphenyl)-7-methoxy-5-(2-methoxybenzyl)-1-(2-methoxyethyl)-4-(trifluoromethyl)-1H-benzo[d]imidazole
BDBM50325516
SCHEMBL2496420
Inchi KeyCUUQJCBKILQBIV-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31F3N2O3/c1-18(2)19-10-12-20(13-11-19)28-33-26-25(29(30,31)32)22(16-21-8-6-7-9-23(21)36-4)17-24(37-5)27(26)34(28)14-15-35-3/h6-13,17-18H,14-16H2,1-5H3
PubChem CID49864798
ChEMBLCHEMBL1222489
IUPHARN/A
BindingDB50325516
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
51140Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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