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

NameSCHEMBL3309928
Molecular formulaC22H25NO4
IUPAC name2-[methyl-(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight367.445
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.0
Synonyms2-[(2-Isopropoxy-3-methyl-benzoyl)-methyl-amino]-indan-2-carboxylic acid
CHEMBL3719022
AKRIXYOVYPURCR-UHFFFAOYSA-N
Inchi KeyAKRIXYOVYPURCR-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25NO4/c1-14(2)27-19-15(3)8-7-11-18(19)20(24)23(4)22(21(25)26)12-16-9-5-6-10-17(16)13-22/h5-11,14H,12-13H2,1-4H3,(H,25,26)
PubChem CID59314395
ChEMBLCHEMBL3719022
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
521668C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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