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BioLiP

PDB CCD ID: 0YG
Number of entries in BioLiP: 0
Chemical formula: C11 H12 N2 O4
InChI: InChI=1S/C11H12N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-5,14H,6,12H2,(H,13,17)(H,15,16)/b9-5-
InChIKey: LQVABVRJNRHIKV-UITAMQMPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(ccc1C=C(C(=O)NCC(=O)O)N)O
CACTVS 3.352NC(=Cc1ccc(O)cc1)C(=O)NCC(O)=O
CACTVS 3.352NC(=C\c1ccc(O)cc1)/C(=O)NCC(O)=O
OpenEye OEToolkits 1.7.0c1cc(ccc1/C=C(/C(=O)NCC(=O)O)\N)O
Name:N-[(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine
ZINC: ZINC000103521097
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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