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

NameMLS000103049
Molecular formulaC17H12FN3O
IUPAC name5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
Molecular weight293.301
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.5
Synonyms5-(benzylamino)-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile
SMR000017237
AC1LHSNM
cid_892437
CHEMBL1340078
[ Show all ]
Inchi KeyAGHZEQDXMFREGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H12FN3O/c18-14-9-5-4-8-13(14)16-21-15(10-19)17(22-16)20-11-12-6-2-1-3-7-12/h1-9,20H,11H2
PubChem CID892437
ChEMBLCHEMBL1340078
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
463481Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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