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

NameCHEMBL2042067
Molecular formulaC12H11BrN2O3
IUPAC name6-bromo-N-(2-hydroxyethyl)-2-iminochromene-3-carboxamide
Molecular weight311.135
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP1.5
Synonyms1395082-72-0
6-bromo-N-(2-hydroxyethyl)-2-imino-2H-chromene-3-carboxamide
Inchi KeyAMMHLLZTESGXKD-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H11BrN2O3/c13-8-1-2-10-7(5-8)6-9(11(14)18-10)12(17)15-3-4-16/h1-2,5-6,14,16H,3-4H2,(H,15,17)
PubChem CID66573312
ChEMBLCHEMBL2042067
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9044Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
9042Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
9043Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
442059Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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