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

NameSCHEMBL3304472
Molecular formulaC21H23NO4
IUPAC name2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight353.418
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.8
Synonyms2-(2-Isopropoxy-3-methyl-benzoylamino)-indan-2-carboxylic acid
FDPUDIAMESRREB-UHFFFAOYSA-N
CHEMBL3716140
Inchi KeyFDPUDIAMESRREB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23NO4/c1-13(2)26-18-14(3)7-6-10-17(18)19(23)22-21(20(24)25)11-15-8-4-5-9-16(15)12-21/h4-10,13H,11-12H2,1-3H3,(H,22,23)(H,24,25)
PubChem CID25160407
ChEMBLCHEMBL3716140
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523768C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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