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BioLiP

PDB CCD ID: SQM
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N4 O2
InChI: InChI=1S/C12H12N4O2/c1-16-10(11(13)17)9(7-14-16)15-12(18)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,17)(H,15,18)
InChIKey: RHBYLZOCKQVWCX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O
OpenEye OEToolkits 2.0.6Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N
Name:4-benzamido-2-methyl-pyrazole-3-carboxamide
ZINC: ZINC000000040636
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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