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

NameCHEMBL1222492
Molecular formulaC28H31BrN2O3S
IUPAC name4-bromo-7-methoxy-1-(2-methoxyethyl)-5-[(2-methylsulfinylphenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole
Molecular weight555.531
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.7
SynonymsSCHEMBL2503512
DOCSKUXMRHPMRS-UHFFFAOYSA-N
BDBM50325519
4-Bromo-2-(4-isopropyl-phenyl)-5-(2-methanesulfinyl-benzyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazole
4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)-5-(2-(methylsulfinyl)benzyl)-1H-benzo[d]imidazole
Inchi KeyDOCSKUXMRHPMRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31BrN2O3S/c1-18(2)19-10-12-20(13-11-19)28-30-26-25(29)22(16-21-8-6-7-9-24(21)35(5)32)17-23(34-4)27(26)31(28)14-15-33-3/h6-13,17-18H,14-16H2,1-5H3
PubChem CID11398805
ChEMBLCHEMBL1222492
IUPHARN/A
BindingDB50325519
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
64896Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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