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

NameCHEMBL2392182
Molecular formulaC17H11BrN2O6
IUPAC name6-bromo-8-[(5-methoxypyridine-2-carbonyl)amino]-4-oxochromene-2-carboxylic acid
Molecular weight419.187
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.0
SynonymsBDBM50435999
Inchi KeyHUCLWZDRJIRCBM-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H11BrN2O6/c1-25-9-2-3-11(19-7-9)16(22)20-12-5-8(18)4-10-13(21)6-14(17(23)24)26-15(10)12/h2-7H,1H3,(H,20,22)(H,23,24)
PubChem CID71733939
ChEMBLCHEMBL2392182
IUPHARN/A
BindingDB50435999
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
124183G-protein coupled receptor 35Q9ES90Gpr35Mus musculus (Mouse)307
124184G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
124185G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319

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