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

NameSMR000105621
Molecular formulaC24H22N4O3
IUPAC name5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
Molecular weight414.465
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM47523
MLS000109681
ST015301
5-(2-furoylamino)-N-p-cumenyl-1-phenyl-pyrazole-4-carboxamide
Oprea1_538431
[ Show all ]
Inchi KeyAFLCDAMJALWUAC-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22N4O3/c1-16(2)17-10-12-18(13-11-17)26-23(29)20-15-25-28(19-7-4-3-5-8-19)22(20)27-24(30)21-9-6-14-31-21/h3-16H,1-2H3,(H,26,29)(H,27,30)
PubChem CID1067709
ChEMBLCHEMBL1333698
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
4257Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
4258Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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