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Ligand

NameSCHEMBL3307711
Molecular formulaC22H21F2NO3
IUPAC name4,5-difluoro-2-[[3-methyl-2-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight385.411
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.8
SynonymsBMBSLTRHUKLFAS-UHFFFAOYSA-N
4,5-Difluoro-2-[3-methyl-2-(2-methyl-propenyl)-benzoylamino]-indan-2-carboxylic acid
CHEMBL3719134
Inchi KeyBMBSLTRHUKLFAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21F2NO3/c1-12(2)9-16-13(3)5-4-6-15(16)20(26)25-22(21(27)28)10-14-7-8-18(23)19(24)17(14)11-22/h4-9H,10-11H2,1-3H3,(H,25,26)(H,27,28)
PubChem CID25102804
ChEMBLCHEMBL3719134
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
522380C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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