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Ligand

NameSMR000353138
Molecular formulaC21H17Br2N3O7S
IUPAC name2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3,5-dinitrobenzoate;bromide
Molecular weight615.249
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogPNone
SynonymsAKOS001015693
HMS2598D16
3-[2-(4-bromophenyl)-2-oxoethyl]-5-[2-(3,5-dinitrobenzoyloxy)ethyl]-4-methyl-1,3-thiazol-3-ium bromide
MLS003911216
Z56770353
[ Show all ]
Inchi KeyAHJMSRIGKBIGHN-UHFFFAOYSA-M
Inchi IDInChI=1S/C21H17BrN3O7S.BrH/c1-13-20(33-12-23(13)11-19(26)14-2-4-16(22)5-3-14)6-7-32-21(27)15-8-17(24(28)29)10-18(9-15)25(30)31;/h2-5,8-10,12H,6-7,11H2,1H3;1H/q+1;/p-1
PubChem CID16196220
ChEMBLCHEMBL1391393
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5619Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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