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

NameMLS001083261
Molecular formulaC23H30ClN3O3
IUPAC nameethyl 3-[(3-chlorophenyl)methyl]-1-(2-methyl-5-propylpyrazole-3-carbonyl)piperidine-3-carboxylate
Molecular weight431.961
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.3
SynonymsCHEMBL1701790
MolPort-005-061-587
HMS2941H19
MCULE-5665452957
SMR000655448
[ Show all ]
Inchi KeyABAHLQFFFXVQLD-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30ClN3O3/c1-4-8-19-14-20(26(3)25-19)21(28)27-12-7-11-23(16-27,22(29)30-5-2)15-17-9-6-10-18(24)13-17/h6,9-10,13-14H,4-5,7-8,11-12,15-16H2,1-3H3
PubChem CID24817081
ChEMBLCHEMBL1701790
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
691Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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