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

NameCHEMBL3978976
Molecular formulaC26H32N4O2S
IUPAC nameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-2-methyl-1,3-benzothiazole-5-carboxamide
Molecular weight464.628
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM243849
US9428456, 1.354
Inchi KeyABSPWPFIBZUQNZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32N4O2S/c1-17-27-22-15-20(8-9-23(22)33-17)24(31)28-21-7-5-6-18(14-21)16-30-12-10-19(11-13-30)25(32)29-26(2,3)4/h5-9,14-15,19H,10-13,16H2,1-4H3,(H,28,31)(H,29,32)
PubChem CID129626163
ChEMBLCHEMBL3978976
IUPHARN/A
BindingDB243849
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
533917Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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