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

NameCHEMBL3769816
Molecular formulaC24H20FN3O3
IUPAC name1-[2-(cyclopropanecarbonyl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
Molecular weight417.44
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.9
SynonymsBDBM50149435
SCHEMBL15126587
Inchi KeyBXXXYZIOUUHSOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H20FN3O3/c1-15-23(24(30)17-4-5-17)26-21-9-8-19(13-28(15)21)27-11-10-20(12-22(27)29)31-14-16-2-6-18(25)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3
PubChem CID89702382
ChEMBLCHEMBL3769816
IUPHARN/A
BindingDB50149435
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
522596Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
522597Melanin-concentrating hormone receptor 1P97639Mchr1Rattus norvegicus (Rat)353

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