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Ligand

NameBDBM34796
Molecular formulaC16H17NO4S
IUPAC name(4-hydroxy-5-methyl-2-prop-1-en-2-ylanilino) benzenesulfonate
Molecular weight319.375
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
Synonymsbenzenesulfonic acid [(2-isopropyl-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)amino] ester
benzenesulfonic acid [(5-methyl-4-oxo-2-propan-2-yl-1-cyclohexa-2,5-dienylidene)amino] ester
cid_2221138
[(5-methyl-4-oxidanylidene-2-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino] benzenesulfonate
Inchi KeyCAJYERVBYUDRSA-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H17NO4S/c1-11(2)14-10-16(18)12(3)9-15(14)17-21-22(19,20)13-7-5-4-6-8-13/h4-10,17-18H,1H2,2-3H3
PubChem CID91896221
ChEMBLN/A
IUPHARN/A
BindingDB34796
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
37260Galanin receptor type 2O43603GALR2Homo sapiens (Human)387

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