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BioLiP

PDB CCD ID: YIG
Number of entries in BioLiP: 1
Chemical formula: C20 H13 N5 O2
InChI: InChI=1S/C20H13N5O2/c1-2-4-15(5-3-1)26-16-9-6-13(7-10-16)19-17-12-14(20-21-24-25-22-20)8-11-18(17)23-27-19/h1-12H,(H,21,22,24,25)
InChIKey: RMVHXXZAXAMVLU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Oc2ccc(cc2)c3c4cc(ccc4no3)c5[nH]nnn5
CACTVS 3.385[nH]1nnnc1c2ccc3noc(c4ccc(Oc5ccccc5)cc4)c3c2
ACDLabs 12.01c1c(ccc2noc(c12)c1ccc(Oc2ccccc2)cc1)c1nnn[NH]1
Name:(5P)-3-(4-phenoxyphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
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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