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

NameCHEMBL3641703
Molecular formulaC15H18F2N4O
IUPAC name1-(2,2-difluoroethyl)-N-(4-morpholin-2-ylphenyl)pyrazol-3-amine
Molecular weight308.333
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.9
SynonymsUS8802673, 150
BDBM129508
SCHEMBL12609881
Inchi KeyJOQMWJQZABZALY-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H18F2N4O/c16-14(17)10-21-7-5-15(20-21)19-12-3-1-11(2-4-12)13-9-18-6-8-22-13/h1-5,7,13-14,18H,6,8-10H2,(H,19,20)
PubChem CID68325626
ChEMBLCHEMBL3641703
IUPHARN/A
BindingDB129508
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
156144Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
156143Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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