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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameSCHEMBL3314175
Molecular formulaC20H16N2O3
IUPAC name2-(isoquinoline-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
Molecular weight332.359
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.8
SynonymsCHEMBL3718921
2-[(Isoquinoline-4-carbonyl)-amino]-indan-2-carboxylic acid
IMKQJJQBBWOHMH-UHFFFAOYSA-N
Inchi KeyIMKQJJQBBWOHMH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H16N2O3/c23-18(17-12-21-11-15-7-3-4-8-16(15)17)22-20(19(24)25)9-13-5-1-2-6-14(13)10-20/h1-8,11-12H,9-10H2,(H,22,23)(H,24,25)
PubChem CID59314209
ChEMBLCHEMBL3718921
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
525461C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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