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BioLiP

PDB CCD ID: 2KZ
Number of entries in BioLiP: 3
Chemical formula: C4 H5 N O4
InChI: InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1+
InChIKey: ABZHGLSYGDUSDL-OWOJBTEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N/C(=C/C(O)=O)C(O)=O
ACDLabs 12.01O=C(O)\C=C(\N)C(=O)O
OpenEye OEToolkits 1.9.2C(=C(\C(=O)O)/N)\C(=O)O
OpenEye OEToolkits 1.9.2C(=C(C(=O)O)N)C(=O)O
CACTVS 3.385NC(=CC(O)=O)C(O)=O
Name:2-amino maleic acid;
(2E)-2-aminobut-2-enedioic acid
ZINC: ZINC000167586219
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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