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

NameCHEMBL2392153
Molecular formulaC18H13NO5
IUPAC name8-[(3-methylbenzoyl)amino]-4-oxochromene-2-carboxylic acid
Molecular weight323.304
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50436025
Inchi KeyWHAKPQXYCNZHOL-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H13NO5/c1-10-4-2-5-11(8-10)17(21)19-13-7-3-6-12-14(20)9-15(18(22)23)24-16(12)13/h2-9H,1H3,(H,19,21)(H,22,23)
PubChem CID71735032
ChEMBLCHEMBL2392153
IUPHARN/A
BindingDB50436025
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
373141G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
373142G-protein coupled receptor 35Q9ES90Gpr35Mus musculus (Mouse)307
373143G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319

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