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

NameMolPort-000-723-526
Molecular formulaC17H31BrN2
IUPAC name1-dodecylpyridin-1-ium-4-amine;bromide
Molecular weight343.353
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogPNone
SynonymsMCULE-6886272396
Inchi KeyANXKJACJVUEQOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H30N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-17(18)13-16-19;/h12-13,15-16,18H,2-11,14H2,1H3;1H
PubChem CID44657734
ChEMBLCHEMBL1544561
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9987Galanin receptor type 3O60755GALR3Homo sapiens (Human)368
9985Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
9986Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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