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BioLiP

PDB CCD ID: NMG
Number of entries in BioLiP: 37
Chemical formula: C3 H7 N3 O2
InChI: InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
InChIKey: BPMFZUMJYQTVII-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CNC(=[N@H])N
OpenEye OEToolkits 1.5.0[H]/N=C(/N)\NCC(=O)O
CACTVS 3.341NC(=N)NCC(O)=O
OpenEye OEToolkits 1.5.0[H]N=C(N)NCC(=O)O
Name:GUANIDINO ACETATE;
N-[AMINO(IMINO)METHYL]GLYCINE
ChEMBL: CHEMBL281593
DrugBank: DB02751
ZINC: ZINC000000895314
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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