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

NameMLS000727578
Molecular formulaC23H21BrN4O
IUPAC name6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-phenylquinoline-4-carboxamide
Molecular weight449.352
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.2
SynonymsSMR000306275
6-bromo-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-phenylquinoline-4-carboxamide
6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-phenylquinoline-4-carboxamide
AC1NNNDV
CHEMBL1328648
[ Show all ]
Inchi KeyAGHSRUDOCZHHSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21BrN4O/c1-15-17(14-28(3)26-15)13-27(2)23(29)20-12-22(16-7-5-4-6-8-16)25-21-10-9-18(24)11-19(20)21/h4-12,14H,13H2,1-3H3
PubChem CID5048043
ChEMBLCHEMBL1328648
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4883Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
4882Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
4881Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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