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

NameCHEMBL54935
Molecular formulaC27H26F2N2O
IUPAC name(2E)-5,5-bis(3-fluorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
Molecular weight432.515
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.4
SynonymsSCHEMBL9521598
5,5-Bis-(3-fluoro-phenyl)-penta-2,4-dienoic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
BDBM50018391
Inchi KeyACLSUALHMZIIAQ-NINHTKBVSA-N
Inchi IDInChI=1S/C27H26F2N2O/c1-20(7-2-8-21-9-6-16-30-19-21)31-27(32)15-5-14-26(22-10-3-12-24(28)17-22)23-11-4-13-25(29)18-23/h3-6,9-20H,2,7-8H2,1H3,(H,31,32)/b15-5+/t20-/m1/s1
PubChem CID14347348
ChEMBLCHEMBL54935
IUPHARN/A
BindingDB50018391
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1685Platelet-activating factor receptorP21556PTAFRCavia porcellus (Guinea pig)342
1686Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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