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 DMFold 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

NameSCHEMBL2000727
Molecular formulaC24H24F4N4O2S
IUPAC name6-(4-fluorophenyl)-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]pyridine-3-sulfonamide
Molecular weight508.536
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP3.6
SynonymsCHEMBL2364320
Inchi KeyIHSRDRQVXGIMBU-INIZCTEOSA-N
Inchi IDInChI=1S/C24H24F4N4O2S/c1-16-14-32(11-10-29-16)15-18-4-7-20(12-22(18)24(26,27)28)31-35(33,34)21-8-9-23(30-13-21)17-2-5-19(25)6-3-17/h2-9,12-13,16,29,31H,10-11,14-15H2,1H3/t16-/m0/s1
PubChem CID42623463
ChEMBLCHEMBL2364320
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
133534Motilin receptorO43193MLNRHomo sapiens (Human)412

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