Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL374939
Molecular formulaC27H31N3O4S
IUPAC nameN-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
Molecular weight493.622
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.2
SynonymsSCHEMBL1340030
BDBM50203831
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-2-methylbenzamide
Inchi KeyLOBUISIPHBRTPI-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31N3O4S/c1-3-8-26(31)30-17-15-20(16-18-30)29-35(33,34)25-14-13-24(22-11-6-7-12-23(22)25)28-27(32)21-10-5-4-9-19(21)2/h4-7,9-14,20,29H,3,8,15-18H2,1-2H3,(H,28,32)
PubChem CID10391001
ChEMBLCHEMBL374939
IUPHARN/A
BindingDB50203831
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
192188C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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