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

NameCHEMBL501404
Molecular formulaC15H12FN3O
IUPAC name2-[2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)-5-fluorophenyl]-1,3-oxazole
Molecular weight269.279
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP1.9
SynonymsBDBM50258639
2-(2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)-5-fluorophenyl)oxazole
Inchi KeyBFDKAMOCQFIESP-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H12FN3O/c16-11-1-2-12(13(8-11)15-18-4-6-20-15)10-7-14-17-3-5-19(14)9-10/h1-6,8,10H,7,9H2
PubChem CID44574133
ChEMBLCHEMBL501404
IUPHARN/A
BindingDB50258639
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
22205Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
22204Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
22206Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
22207Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450

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