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

NameCHEMBL27773
Molecular formulaC17H11BrN2O2
IUPAC name6-bromo-3-methyl-1-phenylchromeno[2,3-c]pyrazol-4-one
Molecular weight355.191
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.4
Synonyms6-Bromo-3-methyl-1-phenyl-1H-chromeno[2,3-c]pyrazol-4-one
1-Phenyl-3-methyl-6-bromo[1]benzopyrano[2,3-c]pyrazole-4(1H)-one
BDBM50034381
J3.666.546G
Inchi KeyAIYAQGQJZMZRHV-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H11BrN2O2/c1-10-15-16(21)13-9-11(18)7-8-14(13)22-17(15)20(19-10)12-5-3-2-4-6-12/h2-9H,1H3
PubChem CID10383537
ChEMBLCHEMBL27773
IUPHARN/A
BindingDB50034381
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6644Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
6643Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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