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BioLiP

PDB CCD ID: 6SM
Number of entries in BioLiP: 2
Chemical formula: C5 H3 Cl N2 O2
InChI: InChI=1S/C5H3ClN2O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,(H,9,10)
InChIKey: AXGQUUGCTSWSMC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1c(c(ncn1)C(=O)O)Cl
CACTVS 3.385OC(=O)c1ncncc1Cl
Name:5-chloranylpyrimidine-4-carboxylic acid
ZINC: ZINC000011804329
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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