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BioLiP

PDB CCD ID: 7R8
Number of entries in BioLiP: 3
Chemical formula: C11 H10 N2 O
InChI: InChI=1S/C11H10N2O/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9/h1-6,14H,(H3,12,13)
InChIKey: ULKSSXOMKDEKPC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc2c1cc(cc2)O)C(=N)N
CACTVS 3.385NC(=N)c1ccc2cc(O)ccc2c1
OpenEye OEToolkits 2.0.7[H]/N=C(\c1ccc2cc(ccc2c1)O)/N
Name:6-oxidanylnaphthalene-2-carboximidamide
ZINC: ZINC000002516802
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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