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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL58283
Molecular formulaC25H33F2N5O
IUPAC nameN-[1-cyclohexyl-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-4-fluorobenzamide
Molecular weight457.57
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50282974
N-{1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-4-fluoro-benzamide
Inchi KeyALIDGGPSZBTFKS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33F2N5O/c26-21-10-8-20(9-11-21)24(33)30-23(19-5-2-1-3-6-19)7-4-12-31-13-15-32(16-14-31)25-28-17-22(27)18-29-25/h8-11,17-19,23H,1-7,12-16H2,(H,30,33)
PubChem CID15729925
ChEMBLCHEMBL58283
IUPHARN/A
BindingDB50282974
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
82925-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
82915-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471

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