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BioLiP

PDB CCD ID: MD6
Number of entries in BioLiP: 2
Chemical formula: C8 H8 N2 O4
InChI: InChI=1S/C8H8N2O4/c11-5-2-1-3-9-7(5)8(14)10-4-6(12)13/h1-3,11H,4H2,(H,10,14)(H,12,13)
InChIKey: IZQMRNMMPSNPJM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)CNC(=O)c1ncccc1O
ACDLabs 12.01O=C(c1ncccc1O)NCC(=O)O
OpenEye OEToolkits 1.7.2c1cc(c(nc1)C(=O)NCC(=O)O)O
Name:N-[(3-hydroxypyridin-2-yl)carbonyl]glycine
ChEMBL: CHEMBL1256568
ZINC: ZINC000033978615
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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