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

NameSCHEMBL14152787
Molecular formulaC18H17ClN6O2
IUPAC name1-(5-chloropyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
Molecular weight384.824
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.2
SynonymsBDBM167501
US9073911, 50
Inchi KeyATQWQGDZEKQJHT-OAHLLOKOSA-N
Inchi IDInChI=1S/C18H17ClN6O2/c19-16-10-22-17(11-21-16)25-7-5-14(24-25)18(26)23-13-3-1-12(2-4-13)15-9-20-6-8-27-15/h1-5,7,10-11,15,20H,6,8-9H2,(H,23,26)/t15-/m1/s1
PubChem CID89262448
ChEMBLN/A
IUPHARN/A
BindingDB167501
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
557665Trace amine-associated receptor 1Q923Y9Taar1Rattus norvegicus (Rat)332
557666Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332

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