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 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

NameCHEMBL3902305
Molecular formulaC22H23N7O5
IUPAC nameN-[1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
Molecular weight465.47
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP2.3
SynonymsBDBM221359
US9303023, 55
Inchi KeyAGTYLUDFLBJZNF-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23N7O5/c1-31-16-6-4-14(5-7-16)20-19(24-13-34-20)21(30)26-15-11-25-29(12-15)9-8-23-22-27-17(32-2)10-18(28-22)33-3/h4-7,10-13H,8-9H2,1-3H3,(H,26,30)(H,23,27,28)
PubChem CID60163154
ChEMBLCHEMBL3902305
IUPHARN/A
BindingDB221359
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
519721Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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