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

NameCHEMBL184850
Molecular formulaC22H32N6
IUPAC name3-[5-(dimethylamino)-3-methylpyridin-2-yl]-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
Molecular weight380.54
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50149672
SCHEMBL5872437
[3-(5-Dimethylamino-3-methyl-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-dipropyl-amine
Inchi KeyAVIYBZJGACSQAF-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H32N6/c1-8-10-27(11-9-2)19-13-16(4)24-22-20(17(5)25-28(19)22)21-15(3)12-18(14-23-21)26(6)7/h12-14H,8-11H2,1-7H3
PubChem CID11164902
ChEMBLCHEMBL184850
IUPHARN/A
BindingDB50149672
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15335Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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