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

NameCHEMBL3923052
Molecular formulaC26H32FN3O2
IUPAC nameN-cyclohexyl-1-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
Molecular weight437.559
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM243541
US9428456, 1.156
Inchi KeyAKTXZYPQUJLYMA-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32FN3O2/c27-22-11-9-20(10-12-22)25(31)29-24-8-4-5-19(17-24)18-30-15-13-21(14-16-30)26(32)28-23-6-2-1-3-7-23/h4-5,8-12,17,21,23H,1-3,6-7,13-16,18H2,(H,28,32)(H,29,31)
PubChem CID72704048
ChEMBLCHEMBL3923052
IUPHARN/A
BindingDB243541
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
533939Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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