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Ligand

NameCID 457678
Molecular formulaC28H37BrN4O3
IUPAC name[4-[4-[C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone
Molecular weight557.533
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.3
SynonymsN/A
Inchi KeyZGDKVKUWTCGYOA-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3
PubChem CID457678
ChEMBLN/A
IUPHARN/A
BindingDB50104931
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
427712C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
462849C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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