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Ligand

NameBDBM50078561
Molecular formulaC22H33N5O4S
IUPAC nameN-[3-[4-[4-(1-hydroxy-3-oxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-2-yl)butyl]piperazin-1-yl]phenyl]ethanesulfonamide
Molecular weight463.597
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.4
SynonymsEthanesulfonic acid (3-{4-[4-(1,3-dioxo-tetrahydro-pyrrolo[1,2-c]imidazol-2-yl)-butyl]-piperazin-1-yl}-phenyl)-amide
Ethanesulfonic acid (3-{4-[4-(1,3-dioxo-tetrahydro-pyrrolo[1,2-c]imidazol-2-yl)-butyl]-piperazin-1-yl}-phenyl)-amide (EF-7412)
Inchi KeyOHRUJLACQQIEJZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H33N5O4S/c1-2-32(30,31)23-18-7-5-8-19(17-18)25-15-13-24(14-16-25)10-3-4-11-27-21(28)20-9-6-12-26(20)22(27)29/h5,7-8,17,23,28H,2-4,6,9-16H2,1H3
PubChem CID54150941
ChEMBLN/A
IUPHARN/A
BindingDB50078561
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2416675-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
2416685-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
2416645-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5648675-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388
241665D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
241669D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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