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BioLiP

PDB CCD ID: T6U
Number of entries in BioLiP: 1
Chemical formula: C8 H6 Br N3 O3
InChI: InChI=1S/C8H6BrN3O3/c1-3-10-8(12-15-3)6-7(14)4(13)2-5(9)11-6/h2,14H,1H3,(H,11,13)
InChIKey: VCOZTCCRJIGBLQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1nc(no1)C2=C(C(=O)C=C(N2)Br)O
CACTVS 3.385Cc1onc(n1)C2=C(O)C(=O)C=C(Br)N2
ACDLabs 12.01OC1=C(NC(Br)=CC1=O)c1nc(C)on1
Name:(2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one
ChEMBL: CHEMBL5289714
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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