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BioLiP

PDB CCD ID: ID0
Number of entries in BioLiP: 2
Chemical formula: C9 H13 N3 O
InChI: InChI=1S/C9H13N3O/c1-10-9(13)8-6-4-2-3-5-7(6)11-12-8/h2-5H2,1H3,(H,10,13)(H,11,12)
InChIKey: WWXNJFGNHRDWHB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNC(=O)c1n[nH]c2CCCCc12
OpenEye OEToolkits 2.0.7CNC(=O)c1c2c([nH]n1)CCCC2
Name:N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
ZINC: ZINC000075337264
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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