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 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

NameMLS003151666
Molecular formulaC16H18N4
IUPAC name5,7-dimethyl-2-piperazin-1-ylquinoline-3-carbonitrile
Molecular weight266.348
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
SynonymsAKOS022212891
5,7-dimethyl-2-(1-piperazinyl)-3-quinolinecarbonitrile
CHEMBL2357580
5,7-dimethyl-2-piperazino-quinoline-3-carbonitrile
SCHEMBL14235629
[ Show all ]
Inchi KeyAGWQWXZPAVLKSU-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N4/c1-11-7-12(2)14-9-13(10-17)16(19-15(14)8-11)20-5-3-18-4-6-20/h7-9,18H,3-6H2,1-2H3
PubChem CID28809628
ChEMBLCHEMBL2357580
IUPHARN/A
BindingDB96830
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
5301Trace amine-associated receptor 1Q96RJ0TAAR1Homo sapiens (Human)339

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