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

NameCHEMBL3578244
Molecular formulaC22H18F3N3O2S
IUPAC name1-(2-cyclopropyl-3-methylindazol-5-yl)-4-[[5-(trifluoromethyl)thiophen-3-yl]methoxy]pyridin-2-one
Molecular weight445.46
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.2
Synonyms1-(2-cyclopropyl-3-methyl-2H-indazol-5-yl)-4-{[5-(trifluoromethyl)thiophen-3-yl]methoxy}pyridin-2(1H)-one
SCHEMBL16369646
BDBM50163509
FAALBEAEXAFDGY-UHFFFAOYSA-N
1-(2-Cyclopropyl-3-methyl-2H-indazole-5-yl)-4-[[5-(trifluoromethyl)-3-thienyl]methoxy]pyridine-2(1H)-one
[ Show all ]
Inchi KeyFAALBEAEXAFDGY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H18F3N3O2S/c1-13-18-9-16(4-5-19(18)26-28(13)15-2-3-15)27-7-6-17(10-21(27)29)30-11-14-8-20(31-12-14)22(23,24)25/h4-10,12,15H,2-3,11H2,1H3
PubChem CID90469437
ChEMBLCHEMBL3578244
IUPHARN/A
BindingDB50163509
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
471956Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
523696Melanin-concentrating hormone receptor 1P97639Mchr1Rattus norvegicus (Rat)353

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