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BioLiP

PDB CCD ID: PZB
Number of entries in BioLiP: 1
Chemical formula: C15 H12 N2 O3
InChI: InChI=1S/C15H12N2O3/c18-10-6-7-12(13(19)8-10)15-14(9-16-17-15)20-11-4-2-1-3-5-11/h1-9,18-19H,(H,16,17)
InChIKey: WUNNLMRNOJZGQB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Oc1ccc(c(O)c1)c2n[nH]cc2Oc3ccccc3
ACDLabs 12.01Oc3cc(O)c(c2nncc2Oc1ccccc1)cc3
OpenEye OEToolkits 1.7.6c1ccc(cc1)Oc2c[nH]nc2c3ccc(cc3O)O
Name:4-(4-phenoxy-1H-pyrazol-3-yl)benzene-1,3-diol
ZINC: ZINC000004693272
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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