Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3673026
Molecular formulaC18H20FN3O3
IUPAC name2-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide
Molecular weight345.374
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.5
SynonymsSCHEMBL14150738
BDBM158290
US9029370, 84
Inchi KeyAOTQIDPOBHBGSP-INIZCTEOSA-N
Inchi IDInChI=1S/C18H20FN3O3/c1-2-24-17-9-12(5-6-21-17)18(23)22-13-3-4-14(15(19)10-13)16-11-20-7-8-25-16/h3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23)/t16-/m0/s1
PubChem CID71086860
ChEMBLCHEMBL3673026
IUPHARN/A
BindingDB158290
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
464180Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332
464181Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332

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