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BioLiP

PDB CCD ID: KYD
Number of entries in BioLiP: 4
Chemical formula: C6 H8 N2 O2
InChI: InChI=1S/C6H8N2O2/c1-3-5(6(9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H,9,10)
InChIKey: IOOWDXMXZBYKLR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(c(n[nH]1)C)C(=O)O
CACTVS 3.385Cc1[nH]nc(C)c1C(O)=O
Name:3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
ZINC: ZINC000000158520
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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