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

NameCHEMBL2164838
Molecular formulaC24H24N6O2
IUPAC name(2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
Molecular weight428.496
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP1.1
SynonymsBDBM50395796
Inchi KeyDFRFWWCRZDSUDF-NRFANRHFSA-N
Inchi IDInChI=1S/C24H24N6O2/c1-30-12-9-20(29-30)16-26-21(13-17-5-3-2-4-6-17)24(32)28-22-14-19(15-27-23(22)31)18-7-10-25-11-8-18/h2-12,14-15,21,26H,13,16H2,1H3,(H,27,31)(H,28,32)/t21-/m0/s1
PubChem CID71456911
ChEMBLCHEMBL2164838
IUPHARN/A
BindingDB50395796
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
58822Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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