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BioLiP

PDB CCD ID: JZ6
Number of entries in BioLiP: 2
Chemical formula: C3 H3 Cl N2
InChI: InChI=1S/C3H3ClN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKey: BADSZRMNXWLUKO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1c(cn[nH]1)Cl
CACTVS 3.352Clc1c[nH]nc1
Name:4-chloro-1H-pyrazole
ZINC: ZINC000001049758
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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