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

NameCHEMBL3701915
Molecular formulaC15H15N5O
IUPAC name2-[4-[(2S)-morpholin-2-yl]anilino]pyrimidine-5-carbonitrile
Molecular weight281.319
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP0.8
SynonymsUS8802673, 16
BDBM129374
SCHEMBL12609898
Inchi KeyLQKRWYFWHIWOMV-CQSZACIVSA-N
Inchi IDInChI=1S/C15H15N5O/c16-7-11-8-18-15(19-9-11)20-13-3-1-12(2-4-13)14-10-17-5-6-21-14/h1-4,8-9,14,17H,5-6,10H2,(H,18,19,20)/t14-/m1/s1
PubChem CID68325637
ChEMBLCHEMBL3701915
IUPHARN/A
BindingDB129374
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
193925Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
193924Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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