SEQ2FUN

BioLiP

PDB CCD ID: A1IWW
Number of entries in BioLiP: 1
Chemical formula: C4 H10 N2 O
InChI: InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
InChIKey: JHRDEHLFNLLCQS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)C(N)=NO
OpenEye OEToolkits 2.0.7CC(C)C(=NO)N
CACTVS 3.385CC(C)/C(N)=N/O
OpenEye OEToolkits 2.0.7CC(C)/C(=N/O)/N
Name:2-methyl-~{N}'-oxidanyl-propanimidamide

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).