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BioLiP Library

PDB CCD ID: AW7
Number of entries in BioLiP: 5
Chemical formula: C13 H10 N4 O
InChI: InChI=1S/C13H10N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-9H,(H,16,17)
InChIKey: DUEUESIXAVJTRZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[nH]1ccc(n1)c2ccc(Oc3ncccn3)cc2
OpenEye OEToolkits 2.0.6c1cnc(nc1)Oc2ccc(cc2)c3cc[nH]n3
Name:2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine
ZINC: ZINC000000170266
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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