Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL3954046
Molecular formulaC21H21N7O2
IUPAC name5-(3-methylphenyl)-N-[1-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
Molecular weight403.446
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM221417
US9303023, 114
Inchi KeyABCOETVKIYAMHI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N7O2/c1-14-4-3-5-16(8-14)19-18(25-13-30-19)20(29)27-17-11-26-28(12-17)7-6-22-21-23-9-15(2)10-24-21/h3-5,8-13H,6-7H2,1-2H3,(H,27,29)(H,22,23,24)
PubChem CID126842429
ChEMBLCHEMBL3954046
IUPHARN/A
BindingDB221417
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
519705Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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