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

NameCHEMBL1082339
Molecular formulaC24H24ClF3N4
IUPAC nameN-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine
Molecular weight460.929
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.9
SynonymsSCHEMBL5379102
BDBM50319880
N-benzyl-1-(2-chloro-1-mesityl-6-(trifluoromethyl)-1H-imidazo[1,2-a]imidazol-5-yl)-N-methylmethanamine
Inchi KeyANZDEWUXVOGMOY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24ClF3N4/c1-15-10-16(2)21(17(3)11-15)32-20(25)14-31-19(22(24(26,27)28)29-23(31)32)13-30(4)12-18-8-6-5-7-9-18/h5-11,14H,12-13H2,1-4H3
PubChem CID21916299
ChEMBLCHEMBL1082339
IUPHARN/A
BindingDB50319880
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10039Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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