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BioLiP

PDB CCD ID: 3FZ
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2 O
InChI: InChI=1S/C8H8N2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-5H,(H3,9,10)
InChIKey: GXPBBYFOLVWXRG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(cc(c1)C(=N)N)C=O
OpenEye OEToolkits 1.7.0[H]/N=C(\c1cccc(c1)C=O)/N
ACDLabs 11.02O=Cc1cccc(C(=[N@H])N)c1
CACTVS 3.352NC(=N)c1cccc(C=O)c1
Name:3-formylbenzenecarboximidamide
ZINC: ZINC000002581098
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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