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

NameCHEMBL136596
Molecular formulaC22H27N5
IUPAC name2-N-benzyl-4-N-(2,6-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
Molecular weight361.493
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50054227
N-Benzyl-N''-(2,6-dimethyl-phenyl)-6-methyl-N-propyl-[1,3,5]triazine-2,4-diamine
Inchi KeyBELAWFDFLREXKL-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N5/c1-5-14-27(15-19-12-7-6-8-13-19)22-24-18(4)23-21(26-22)25-20-16(2)10-9-11-17(20)3/h6-13H,5,14-15H2,1-4H3,(H,23,24,25,26)
PubChem CID10546541
ChEMBLCHEMBL136596
IUPHARN/A
BindingDB50054227
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
21663Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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