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BioLiP

PDB CCD ID: OFK
Number of entries in BioLiP: 2
Chemical formula: C15 H12 N2 O
InChI: InChI=1S/C15H12N2O/c1-11(18)14-10-13(12-6-3-2-4-7-12)15-16-8-5-9-17(14)15/h2-10H,1H3
InChIKey: FPBCLTMMKANZAZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)c1cc(c2n1cccn2)c3ccccc3
CACTVS 3.385CC(=O)c1cc(c2ccccc2)c3ncccn13
Name:1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone
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).
  • 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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