Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameMLS003124195
Molecular formulaC23H21FN4O
IUPAC nameN-[6-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]acetamide
Molecular weight388.446
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsCHEMBL1873621
SMR001292866
Inchi KeyAKHKMYWFQIREIE-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21FN4O/c1-15(29)26-21-12-18(16-6-10-20(11-7-16)27(2)3)14-28-22(13-25-23(21)28)17-4-8-19(24)9-5-17/h4-14H,1-3H3,(H,26,29)
PubChem CID49795091
ChEMBLCHEMBL1873621
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
7550Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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