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

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

Name3-(4-[4-Chloro-2-(2-methyl-pyridine-3-carbonyl)-phenylsulfamoyl]-phenyl)-propionic acid methyl ester
Molecular formulaC23H21ClN2O5S
IUPAC namemethyl 3-[4-[[4-chloro-2-(2-methylpyridine-3-carbonyl)phenyl]sulfamoyl]phenyl]propanoate
Molecular weight472.94
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.4
SynonymsSCHEMBL344225
CHEMBL3717061
3-{4-[4-Chloro-2-(2-methyl-pyridine-3-carbonyl)-phenylsulfamoyl]-phenyl}-propionic acid methyl ester
FYWBSYBXZYTZBM-UHFFFAOYSA-N
Inchi KeyFYWBSYBXZYTZBM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21ClN2O5S/c1-15-19(4-3-13-25-15)23(28)20-14-17(24)8-11-21(20)26-32(29,30)18-9-5-16(6-10-18)7-12-22(27)31-2/h3-6,8-11,13-14,26H,7,12H2,1-2H3
PubChem CID10027807
ChEMBLCHEMBL3717061
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
524137C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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