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

NameCHEMBL1554375
Molecular formulaC18H17F3N2O3S
IUPAC nameN-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
Molecular weight398.4
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.7
SynonymsMolPort-010-848-462
AKOS021734469
ZINC8599291
G810-0018
N-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)methyl]-2-(trifluoromethyl)-1-benzenesulfonamide
[ Show all ]
Inchi KeyADLLCWJBAJRVAT-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17F3N2O3S/c1-12(24)23-9-8-14-10-13(6-7-16(14)23)11-22-27(25,26)17-5-3-2-4-15(17)18(19,20)21/h2-7,10,22H,8-9,11H2,1H3
PubChem CID16030862
ChEMBLCHEMBL1554375
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
2396Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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