Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL2047280
Molecular formulaC14H14BrN3O3
IUPAC name2-[(2-bromobenzoyl)amino]-N-propyl-1,3-oxazole-4-carboxamide
Molecular weight352.188
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.7
SynonymsBRD-K94840814-001-01-5
Inchi KeyAZXRINLMXIFDRC-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H14BrN3O3/c1-2-7-16-13(20)11-8-21-14(17-11)18-12(19)9-5-3-4-6-10(9)15/h3-6,8H,2,7H2,1H3,(H,16,20)(H,17,18,19)
PubChem CID53377449
ChEMBLCHEMBL2047280
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18575Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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