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BioLiP

PDB CCD ID: DKU
Number of entries in BioLiP: 2
Chemical formula: C25 H20 N2 O2
InChI: InChI=1S/C25H20N2O2/c1-17-11-13-22-21(15-17)26-24(27(22)19-7-3-2-4-8-19)14-12-18-16-29-23-10-6-5-9-20(23)25(18)28/h2-11,13,15-16H,12,14H2,1H3
InChIKey: HMWKWNLDAUQIGF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)nc(n2c3ccccc3)CCC4=COc5ccccc5C4=O
CACTVS 3.385Cc1ccc2n(c(CCC3=COc4ccccc4C3=O)nc2c1)c5ccccc5
Name:3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one
ChEMBL: CHEMBL5280875
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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