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BioLiP Library

PDB CCD ID: 6RP
Number of entries in BioLiP: 3
Chemical formula: C8 H8 N4 O2
InChI: InChI=1S/C8H8N4O2/c13-8(14)7(11-5-1-3-9-11)12-6-2-4-10-12/h1-7H,(H,13,14)
InChIKey: NJDSSVBTTVUKHM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C(n1cccn1)n2cccn2
OpenEye OEToolkits 2.0.5c1cnn(c1)C(C(=O)O)n2cccn2
Name:bis(pyrzol-1-yl)acetate scorpionate;
BPZ
ZINC: ZINC000008521102
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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