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BioLiP

PDB CCD ID: WS4
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N3 O2
InChI: InChI=1S/C11H11N3O2/c1-14-7-8(6-12-14)11(16)13-9-2-4-10(15)5-3-9/h2-7,15H,1H3,(H,13,16)
InChIKey: BOTWCSZQXQBVCZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc(cn1)C(=O)Nc2ccc(O)cc2
ACDLabs 12.01n2n(cc(C(=O)Nc1ccc(cc1)O)c2)C
OpenEye OEToolkits 2.0.7Cn1cc(cn1)C(=O)Nc2ccc(cc2)O
Name:N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide
ZINC: ZINC000020216228
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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