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

NameCHEMBL220703
Molecular formulaC26H30N4O4S
IUPAC nameN-[4-[[1-(3-aminopropanoyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
Molecular weight494.61
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.4
SynonymsSCHEMBL1339425
BDBM50203911
N-{4-[1-(3-amino-propionyl)-piperidin-4-ylsulfamoyl]-naphthalen-1-yl}-2-methyl-benzamide
Inchi KeyIMVIBXUOEUWVME-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N4O4S/c1-18-6-2-3-7-20(18)26(32)28-23-10-11-24(22-9-5-4-8-21(22)23)35(33,34)29-19-13-16-30(17-14-19)25(31)12-15-27/h2-11,19,29H,12-17,27H2,1H3,(H,28,32)
PubChem CID16105807
ChEMBLCHEMBL220703
IUPHARN/A
BindingDB50203911
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
136962C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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