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 DMFold 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

NameCHEMBL160722
Molecular formulaC22H23N3O2
IUPAC nameN-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
Molecular weight361.445
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.1
SynonymsSCHEMBL6996207
BDBM50123728
Indan-2-carboxylic acid [5-(4-isopropoxy-phenyl)-1H-pyrazol-3-yl]-amide
Inchi KeyBQZVTABXTKMTBQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23N3O2/c1-14(2)27-19-9-7-15(8-10-19)20-13-21(25-24-20)23-22(26)18-11-16-5-3-4-6-17(16)12-18/h3-10,13-14,18H,11-12H2,1-2H3,(H2,23,24,25,26)
PubChem CID11057532
ChEMBLCHEMBL160722
IUPHARN/A
BindingDB50123728
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
30804Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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