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BioLiP

PDB CCD ID: P7V
Number of entries in BioLiP: 2
Chemical formula: C10 H7 Br N2 O3
InChI: InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
InChIKey: KHPRTOQUGAUDCM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONC(=O)c1coc(n1)c2ccc(Br)cc2
ACDLabs 12.01C(c2coc(c1ccc(Br)cc1)n2)(NO)=O
OpenEye OEToolkits 2.0.7c1cc(ccc1c2nc(co2)C(=O)NO)Br
Name:2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide
ChEMBL: CHEMBL3770095
ZINC: ZINC000653701701
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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