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

NameSCHEMBL2696237
Molecular formulaC18H21N5O2
IUPAC name1-[2-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]anilino]pyrimidin-5-yl]propan-1-one
Molecular weight339.399
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.9
SynonymsUS8673950, 53
CHEMBL3656526
BDBM119186
Inchi KeyASCYYFMENLEJPQ-HNNXBMFYSA-N
Inchi IDInChI=1S/C18H21N5O2/c1-2-16(24)13-9-20-18(21-10-13)23-14-6-3-12(4-7-14)5-8-15-11-25-17(19)22-15/h3-4,6-7,9-10,15H,2,5,8,11H2,1H3,(H2,19,22)(H,20,21,23)/t15-/m0/s1
PubChem CID67502344
ChEMBLCHEMBL3656526
IUPHARN/A
BindingDB119186
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
13010Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
13011Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332

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