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

NameSCHEMBL2695833
Molecular formulaC16H19N5O2
IUPAC name(4S)-4-[2-[4-[(5-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
Molecular weight313.361
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.7
SynonymsUS8673950, 38
CHEMBL3656511
BDBM119171
Inchi KeyASNGZZPPMAXHSB-ZDUSSCGKSA-N
Inchi IDInChI=1S/C16H19N5O2/c1-22-14-8-18-16(19-9-14)21-12-5-2-11(3-6-12)4-7-13-10-23-15(17)20-13/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H2,17,20)(H,18,19,21)/t13-/m0/s1
PubChem CID56967659
ChEMBLCHEMBL3656511
IUPHARN/A
BindingDB119171
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13335Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332
13336Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417