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

NameCHEMBL567382
Molecular formulaC22H28N8O
IUPAC name1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-[5-(propylaminomethyl)imidazol-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine
Molecular weight420.521
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50302592
1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-(5-((propylamino)methyl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Inchi KeyAWDUCKGMUNKMFY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N8O/c1-6-9-23-11-17-12-24-13-29(17)28-21-20-15(3)27-30(22(20)26-16(4)25-21)19-8-7-18(31-5)10-14(19)2/h7-8,10,12-13,23H,6,9,11H2,1-5H3,(H,25,26,28)
PubChem CID45484976
ChEMBLCHEMBL567382
IUPHARN/A
BindingDB50302592
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
15913Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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