SEQ2FUN

BioLiP

PDB CCD ID: RKX
Number of entries in BioLiP: 1
Chemical formula: C8 H10 N2 O
InChI: InChI=1S/C8H10N2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
InChIKey: CSISQILZUHMAJB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)C(=N)N
OpenEye OEToolkits 2.0.7[H]/N=C(/c1ccc(cc1)OC)\N
CACTVS 3.385COc1ccc(cc1)C(N)=N
Name:4-methoxybenzenecarboximidamide
ChEMBL: CHEMBL3138844
ZINC: ZINC000000391171
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).