SEQ2FUN

BioLiP

PDB CCD ID: IOM
Number of entries in BioLiP: 3
Chemical formula: C4 H11 N3 O2
InChI: InChI=1S/C4H11N3O2/c1-7(4(5)6)2-3(8)9/h4H,2,5-6H2,1H3,(H,8,9)
InChIKey: YNHURFGTTODJOO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CN(C)C(N)N
OpenEye OEToolkits 1.5.0CN(CC(=O)O)C(N)N
CACTVS 3.341CN(CC(O)=O)C(N)N
Name:(DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID
DrugBank: DB02490
ZINC: ZINC000019329420
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).