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

NameCHEMBL467153
Molecular formulaC21H20N4O3
IUPAC name[(2R,4Z)-4-methoxyimino-2-(1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[4-(2-methylphenyl)phenyl]methanone
Molecular weight376.416
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50262152
(R)-1-(2''-Methyl-biphenyl-4-carbonyl)-5-[1,2,4]oxadiazol-5-yl-pyrrolidin-3-one O-methyl-oxime
Inchi KeyAHPMMJNOYVXNON-RJDQKLELSA-N
Inchi IDInChI=1S/C21H20N4O3/c1-14-5-3-4-6-18(14)15-7-9-16(10-8-15)21(26)25-12-17(24-27-2)11-19(25)20-22-13-23-28-20/h3-10,13,19H,11-12H2,1-2H3/b24-17-/t19-/m1/s1
PubChem CID44577874
ChEMBLCHEMBL467153
IUPHARN/A
BindingDB50262152
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
5791Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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