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Ligand

NameCHEMBL88048
Molecular formulaC20H18N4O3S2
IUPAC name[4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]phenyl] benzenesulfonate
Molecular weight426.509
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.8
SynonymsBenzenesulfonic acid 4-[2-[2-(1H-imidazole-4-yl)ethylthio]-1H-imidazole-5-yl]phenyl ester
BDBM50408179
Inchi KeyCMUOXPNQSSULRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18N4O3S2/c25-29(26,18-4-2-1-3-5-18)27-17-8-6-15(7-9-17)19-13-22-20(24-19)28-11-10-16-12-21-14-23-16/h1-9,12-14H,10-11H2,(H,21,23)(H,22,24)
PubChem CID23277107
ChEMBLCHEMBL88048
IUPHARN/A
BindingDB50408179
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
45714Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
45715Histamine H3 receptorQ9JI35HRH3Cavia porcellus (Guinea pig)445

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