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

NameCHEMBL3935099
Molecular formulaC30H42N6O2
IUPAC nameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
Molecular weight518.706
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM243741
US9428456, 1.072
Inchi KeyBQTGPSYKLVBZTD-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H42N6O2/c1-34-16-18-36(19-17-34)28-11-10-25(21-31-28)30(38)33-27-9-5-6-23(20-27)22-35-14-12-24(13-15-35)29(37)32-26-7-3-2-4-8-26/h5-6,9-11,20-21,24,26H,2-4,7-8,12-19,22H2,1H3,(H,32,37)(H,33,38)
PubChem CID129626107
ChEMBLCHEMBL3935099
IUPHARN/A
BindingDB243741
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
534025Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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