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Ligand

NameSCHEMBL3308951
Molecular formulaC22H25NO4
IUPAC name2-[(2-butan-2-yloxy-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight367.445
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.3
SynonymsVEICCNMVJHBRAF-UHFFFAOYSA-N
CHEMBL3717337
2-(2-sec-Butoxy-3-methyl-benzoylamino)-indan-2-carboxylic acid
Inchi KeyVEICCNMVJHBRAF-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25NO4/c1-4-15(3)27-19-14(2)8-7-11-18(19)20(24)23-22(21(25)26)12-16-9-5-6-10-17(16)13-22/h5-11,15H,4,12-13H2,1-3H3,(H,23,24)(H,25,26)
PubChem CID25160281
ChEMBLCHEMBL3717337
IUPHARN/A
BindingDBN/A
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
531466C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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