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

NameSCHEMBL3308986
Molecular formulaC23H23NO3
IUPAC name2-[(3-methyl-2-pent-1-ynylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight361.441
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.7
SynonymsCHEMBL3715725
2-(3-Methyl-2-pent-1-ynyl-benzoylamino)-indan-2-carboxylic acid
NDMFRTDXIQLEPH-UHFFFAOYSA-N
Inchi KeyNDMFRTDXIQLEPH-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23NO3/c1-3-4-5-12-19-16(2)9-8-13-20(19)21(25)24-23(22(26)27)14-17-10-6-7-11-18(17)15-23/h6-11,13H,3-4,14-15H2,1-2H3,(H,24,25)(H,26,27)
PubChem CID59314410
ChEMBLCHEMBL3715725
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
527829C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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