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

NameCHEMBL3770776
Molecular formulaC23H18F3N3O3
IUPAC name1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-[4-(trifluoromethoxy)phenoxy]pyridin-2-one
Molecular weight441.41
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.7
SynonymsBDBM50149450
Inchi KeyHNLYYLZMISIJNO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H18F3N3O3/c1-14-21(15-4-5-15)27-20-11-6-16(13-29(14)20)28-12-2-3-19(22(28)30)31-17-7-9-18(10-8-17)32-23(24,25)26/h2-3,6-13,15H,4-5H2,1H3
PubChem CID127025110
ChEMBLCHEMBL3770776
IUPHARN/A
BindingDB50149450
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
524990Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
524991Melanin-concentrating hormone receptor 1P97639Mchr1Rattus norvegicus (Rat)353

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