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BioLiP

PDB CCD ID: A1H4J
Number of entries in BioLiP: 2
Chemical formula: C9 H7 Cl N2
InChI: InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)
InChIKey: HLCXWJKNVWWWOF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(cc1)c2cc[nH]n2
OpenEye OEToolkits 2.0.7c1cc(ccc1c2cc[nH]n2)Cl
Name:3-(4-chlorophenyl)-1H-pyrazole
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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