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

NameCHEMBL274041
Molecular formulaC26H33N3O
IUPAC nameN-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]quinolin-4-amine
Molecular weight403.57
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.7
Synonyms{3-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-propyl}-quinolin-4-yl-amine; Oxalic acid
BDBM50110285
N-[3-[4-(3-Piperidinopropoxy)phenyl]propyl]quinoline-4-amine
Inchi KeyCZZFMTVEVADYHA-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33N3O/c1-4-18-29(19-5-1)20-7-21-30-23-13-11-22(12-14-23)8-6-16-27-26-15-17-28-25-10-3-2-9-24(25)26/h2-3,9-15,17H,1,4-8,16,18-21H2,(H,27,28)
PubChem CID10949464
ChEMBLCHEMBL274041
IUPHARN/A
BindingDB50110285
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
54813Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
54810Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
54811Histamine H3 receptorQ9JI35HRH3Cavia porcellus (Guinea pig)445
54812Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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