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BioLiP Library

PDB CCD ID: 7RN
Number of entries in BioLiP: 2
Chemical formula: C10 H11 N3 O S
InChI: InChI=1S/C10H11N3OS/c1-6-3-4-9(15-6)7-5-8(13-12-7)10(14)11-2/h3-5H,1-2H3,(H,11,14)(H,12,13)
InChIKey: PCLFROQOOPDIII-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(s1)c2cc(n[nH]2)C(=O)NC
CACTVS 3.385CNC(=O)c1cc([nH]n1)c2sc(C)cc2
Name:N-methyl-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carboxamide
ZINC: ZINC000032795409
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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