Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

Name6-bromo-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
Molecular formulaC24H23BrN4O
IUPAC name6-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
Molecular weight463.379
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.7
SynonymsSTK422347
HMS1803C10
AC1N7IAP
NCGC00101043-01
CHEMBL1515178
[ Show all ]
Inchi KeyACKGZGJBVZHGFY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23BrN4O/c1-4-29-14-18(16(3)28-29)13-26-24(30)21-12-23(17-7-5-15(2)6-8-17)27-22-10-9-19(25)11-20(21)22/h5-12,14H,4,13H2,1-3H3,(H,26,30)
PubChem CID4302940
ChEMBLCHEMBL1515178
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
1659Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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