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

NameCHEMBL3898127
Molecular formulaC27H32N4O2
IUPAC name1-[[3-[(4-cyanobenzoyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide
Molecular weight444.579
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM243869
US9428456, 1.107
Inchi KeyCCBHNNBGAXYMMJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32N4O2/c28-18-20-9-11-22(12-10-20)26(32)30-25-8-4-5-21(17-25)19-31-15-13-23(14-16-31)27(33)29-24-6-2-1-3-7-24/h4-5,8-12,17,23-24H,1-3,6-7,13-16,19H2,(H,29,33)(H,30,32)
PubChem CID129626176
ChEMBLCHEMBL3898127
IUPHARN/A
BindingDB243869
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
534083Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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