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

NameCHEMBL1760214
Molecular formulaC20H21N5O2
IUPAC name[4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
Molecular weight363.421
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.2
SynonymsBDBM50341110
(4-(2-methoxyphenyl)piperazin-1-yl)(3-(pyridin-2-yl)-1H-pyrazol-5-yl)methanone
Inchi KeyANBJLHPYTDNGSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N5O2/c1-27-19-8-3-2-7-18(19)24-10-12-25(13-11-24)20(26)17-14-16(22-23-17)15-6-4-5-9-21-15/h2-9,14H,10-13H2,1H3,(H,22,23)
PubChem CID54580930
ChEMBLCHEMBL1760214
IUPHARN/A
BindingDB50341110
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9409Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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