SEQ2FUN

BioLiP

PDB CCD ID: BAM
Number of entries in BioLiP: 0
Chemical formula: C7 H9 N2
InChI: InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1
InChIKey: PXXJHWLDUBFPOL-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(=[NH2+])N
CACTVS 3.341NC(=[NH2+])c1ccccc1
ACDLabs 10.04[NH2+]=C(/N)c1ccccc1
Name:BENZAMIDINE
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).