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BioLiP

PDB CCD ID: SOV
Number of entries in BioLiP: 1
Chemical formula: C12 H8 N2 O2
InChI: InChI=1S/C12H8N2O2/c1-8-2-3-10(6-9(8)7-13)14-11(15)4-5-12(14)16/h2-6H,1H3
InChIKey: USWFOGGKPGXVBB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		Cc1ccc(cc1C#N)N2C(=O)C=CC2=O
Name:5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile
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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