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Ligand

NameSCHEMBL3309731
Molecular formulaC21H21NO4
IUPAC name2-[(3-methyl-2-prop-2-enoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight351.402
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.6
Synonyms2-(2-Allyloxy-3-methyl-benzoylamino)-indan-2-carboxylic acid
CHEMBL3715720
BGHPCLFHLVTPQG-UHFFFAOYSA-N
Inchi KeyBGHPCLFHLVTPQG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21NO4/c1-3-11-26-18-14(2)7-6-10-17(18)19(23)22-21(20(24)25)12-15-8-4-5-9-16(15)13-21/h3-10H,1,11-13H2,2H3,(H,22,23)(H,24,25)
PubChem CID59314284
ChEMBLCHEMBL3715720
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
522233C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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