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

NameCHEMBL3985336
Molecular formulaC27H34ClN3O2
IUPAC name1-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide
Molecular weight468.038
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM243506
US9428456, 1.025
Inchi KeyASSGWVBTWBZKGL-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34ClN3O2/c28-25-12-5-4-8-22(25)18-26(32)29-24-11-6-7-20(17-24)19-31-15-13-21(14-16-31)27(33)30-23-9-2-1-3-10-23/h4-8,11-12,17,21,23H,1-3,9-10,13-16,18-19H2,(H,29,32)(H,30,33)
PubChem CID129625953
ChEMBLCHEMBL3985336
IUPHARN/A
BindingDB243506
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
533971Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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