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

NameCHEMBL361167
Molecular formulaC25H26N2O3
IUPAC nameN-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)furan-2-carboxamide
Molecular weight402.494
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
Synonyms1-Acetyl-6-(2-furoyl)amino-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline
SCHEMBL1323655
BDBM50410302
JAPOEXTWJODKEF-UHFFFAOYSA-N
Inchi KeyJAPOEXTWJODKEF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26N2O3/c1-17(28)27-21-13-12-19(26-23(29)22-11-8-14-30-22)15-20(21)25(4,16-24(27,2)3)18-9-6-5-7-10-18/h5-15H,16H2,1-4H3,(H,26,29)
PubChem CID11258158
ChEMBLCHEMBL361167
IUPHARN/A
BindingDB50410302
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
146152Follicle-stimulating hormone receptorP23945FSHRHomo sapiens (Human)695

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417