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BioLiP

PDB CCD ID: R7C
Number of entries in BioLiP: 1
Chemical formula: C6 H4 Br N5 O2
InChI: InChI=1S/C6H4BrN5O2/c7-3-1-2(13)5(14)4(8-3)6-9-11-12-10-6/h1,14H,(H,8,13)(H,9,10,11,12)
InChIKey: NKFDRBNQGNFXBT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=C(NC(=C(C1=O)O)c2[nH]nnn2)Br
ACDLabs 12.01OC1=C(NC(Br)=CC1=O)c1nnn[NH]1
CACTVS 3.385OC1=C(NC(=CC1=O)Br)c2[nH]nnn2
Name:(2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one
ChEMBL: CHEMBL5278197
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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