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

NameAC1PMN3Z
Molecular formulaC24H26N4O2
IUPAC name5-cyclopropyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-phenylpyrazole-3-carboxamide
Molecular weight402.498
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.9
SynonymsMLS002245062
CHEMBL1710926
MolPort-005-515-726
HMS3056M09
ZINC8038792
[ Show all ]
Inchi KeyAATGRRSSBQPJOL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N4O2/c1-16-9-10-17(2)20(13-16)25-23(29)15-27(3)24(30)22-14-21(18-11-12-18)26-28(22)19-7-5-4-6-8-19/h4-10,13-14,18H,11-12,15H2,1-3H3,(H,25,29)
PubChem CID9169753
ChEMBLCHEMBL1710926
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
512Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463014Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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