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

NameCHEMBL3970300
Molecular formulaC18H19FN4O4
IUPAC name4-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-6-methoxypyridine-2,4-dicarboxamide
Molecular weight374.372
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP0.3
SynonymsN/A
Inchi KeyCVAOODJQYWCPPA-HNNXBMFYSA-N
Inchi IDInChI=1S/C18H19FN4O4/c1-26-16-8-11(7-14(22-16)17(20)24)18(25)23-13-3-2-10(6-12(13)19)15-9-21-4-5-27-15/h2-3,6-8,15,21H,4-5,9H2,1H3,(H2,20,24)(H,23,25)/t15-/m0/s1
PubChem CID134154070
ChEMBLCHEMBL3970300
IUPHARN/A
BindingDBN/A
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
548478Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332
548479Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332

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