SEQ2FUN

BioLiP

PDB CCD ID: P72
Number of entries in BioLiP: 1
Chemical formula: C7 H8 N2 O
InChI: InChI=1S/C7H8N2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9)
InChIKey: YYXYBWIDIWTCGS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C(=N)N)O
CACTVS 3.385NC(=N)c1ccc(O)cc1
OpenEye OEToolkits 2.0.7[H]/N=C(\c1ccc(cc1)O)/N
Name:4-oxidanylbenzenecarboximidamide
ChEMBL: CHEMBL363685
ZINC: ZINC000000154053
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).