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BioLiP

PDB CCD ID: 0J7
Number of entries in BioLiP: 5
Chemical formula: C18 H13 N7 O
InChI: InChI=1S/C18H13N7O/c26-18(14-6-1-4-12(10-14)16-19-8-3-9-20-16)21-15-7-2-5-13(11-15)17-22-24-25-23-17/h1-11H,(H,21,26)(H,22,23,24,25)
InChIKey: WMPLYYWUNLVUAC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4
CACTVS 3.370O=C(Nc1cccc(c1)c2[nH]nnn2)c3cccc(c3)c4ncccn4
ACDLabs 12.01O=C(c2cccc(c1ncccn1)c2)Nc3cccc(c3)c4nnnn4
Name:3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
ZINC: ZINC000095920701
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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