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

NameSCHEMBL1830755
Molecular formulaC14H16F2N2O
IUPAC name(4S)-4-[2-[1-(2,4-difluorophenyl)cyclopropyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
Molecular weight266.292
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.8
SynonymsCHEMBL3652743
BDBM122355
US8729113, 89
Inchi KeyAJQUDOGDCBCJQP-JTQLQIEISA-N
Inchi IDInChI=1S/C14H16F2N2O/c15-9-1-2-11(12(16)7-9)14(5-6-14)4-3-10-8-19-13(17)18-10/h1-2,7,10H,3-6,8H2,(H2,17,18)/t10-/m0/s1
PubChem CID45101190
ChEMBLCHEMBL3652743
IUPHARN/A
BindingDB122355
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
7148Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332

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