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BioLiP

PDB CCD ID: U8X
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N3 O2
InChI: InChI=1S/C11H11N3O2/c15-10-4-2-9(3-5-10)13-11(16)8-14-7-1-6-12-14/h1-7,15H,8H2,(H,13,16)
InChIKey: BSUVSWPKCMWXTE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnn(c1)CC(=O)Nc2ccc(cc2)O
CACTVS 3.385Oc1ccc(NC(=O)Cn2cccn2)cc1
Name:~{N}-(4-hydroxyphenyl)-2-pyrazol-1-yl-ethanamide
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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