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BioLiP

PDB CCD ID: PZO
Number of entries in BioLiP: 13
Chemical formula: C3 H4 N2
InChI: InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
InChIKey: WTKZEGDFNFYCGP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1cccn1
CACTVS 3.341[nH]1cccn1
OpenEye OEToolkits 1.5.0c1c[nH]nc1
Name:PYRAZOLE
ChEMBL: CHEMBL15967
DrugBank: DB02757
ZINC: ZINC000000895257
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)(download the PDF file).
  • 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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