Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameAC1MHCQD
Molecular formulaC25H24N2O5
IUPAC name4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
Molecular weight432.476
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsCHEMBL1323117
MolPort-000-452-758
HMS2350C04
AKOS002182863
AKOS016297389
[ Show all ]
Inchi KeyAGCULGAKHCAUSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24N2O5/c1-3-13-31-19-9-7-18(8-10-19)22-21(23(28)20-11-6-16(2)32-20)24(29)25(30)27(22)15-17-5-4-12-26-14-17/h4-12,14,22,29H,3,13,15H2,1-2H3
PubChem CID2949891
ChEMBLCHEMBL1323117
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463467fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
4776Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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