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

NameCHEMBL354419
Molecular formulaC20H18N6O2
IUPAC name1-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperidin-4-one
Molecular weight374.404
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.8
SynonymsN/A
Inchi KeyAHQGDBSNVPNSCB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18N6O2/c21-20-22-16(12-18-23-19(24-26(18)20)17-5-2-10-28-17)13-3-1-4-14(11-13)25-8-6-15(27)7-9-25/h1-5,10-12H,6-9H2,(H2,21,22)
PubChem CID23570252
ChEMBLN/A
IUPHARN/A
BindingDB50169546
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536083Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
536082Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
536085Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
557441Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
536081Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
536084Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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