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

NameCHEMBL12494
Molecular formulaC15H19N3O
IUPAC nameN-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutanamide
Molecular weight257.337
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP1.9
SynonymsMLS001216220
MolPort-002-659-796
MolPort-005-911-500
HMS2868E19
BDBM50406098
[ Show all ]
Inchi KeyAGKVFFJHDCPNSM-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H19N3O/c19-15(17-10-9-14-11-16-12-18-14)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,16,18)(H,17,19)
PubChem CID10106513
ChEMBLCHEMBL12494
IUPHARN/A
BindingDB50406098
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
4970Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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