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

NameSCHEMBL344830
Molecular formulaC23H21ClFN3O4S
IUPAC nameN-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-3-fluoro-4-morpholin-4-ylbenzenesulfonamide
Molecular weight489.946
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.1
SynonymsCHEMBL3715712
AAHZBAYAPUITFQ-UHFFFAOYSA-N
N-[4-Chloro-2-(6-methyl-pyridine-3-carbonyl)-phenyl]-3-fluoro-4-morpholin-4-yl-benzenesulfonamide
Inchi KeyAAHZBAYAPUITFQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21ClFN3O4S/c1-15-2-3-16(14-26-15)23(29)19-12-17(24)4-6-21(19)27-33(30,31)18-5-7-22(20(25)13-18)28-8-10-32-11-9-28/h2-7,12-14,27H,8-11H2,1H3
PubChem CID11191026
ChEMBLCHEMBL3715712
IUPHARN/A
BindingDBN/A
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
521448C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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