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Ligand

NameCHEMBL566144
Molecular formulaC30H34N4O4
IUPAC name2-[2-amino-1-(3,4-dimethoxyphenyl)ethyl]-4-[4-[(1S)-1-phenylethyl]piperazin-1-yl]isoindole-1,3-dione
Molecular weight514.626
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50302234
2-(2-amino-1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((S)-1-phenylethyl)piperazin-1-yl)isoindoline-1,3-dione
Inchi KeyGARZUTMCULGOHF-JINQPTGOSA-N
Inchi IDInChI=1S/C30H34N4O4/c1-20(21-8-5-4-6-9-21)32-14-16-33(17-15-32)24-11-7-10-23-28(24)30(36)34(29(23)35)25(19-31)22-12-13-26(37-2)27(18-22)38-3/h4-13,18,20,25H,14-17,19,31H2,1-3H3/t20-,25?/m0/s1
PubChem CID45486908
ChEMBLCHEMBL566144
IUPHARN/A
BindingDB50302234
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
91872Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389
91873Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386

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