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BioLiP

PDB CCD ID: MZF
Number of entries in BioLiP: 1
Chemical formula: C11 H8 Br N3 O3
InChI: InChI=1S/C11H8BrN3O3/c12-6-1-2-8-7(3-6)10(16)11(17)15(8)4-9-13-5-18-14-9/h1-3,5,10,16H,4H2/t10-/m1/s1
InChIKey: LYOFEJVGYOXWIE-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1Br)[C@H](C(=O)N2Cc3ncon3)O
CACTVS 3.385O[CH]1C(=O)N(Cc2nocn2)c3ccc(Br)cc13
CACTVS 3.385O[C@H]1C(=O)N(Cc2nocn2)c3ccc(Br)cc13
ACDLabs 12.01Brc1cc2C(O)C(=O)N(Cc3ncon3)c2cc1
OpenEye OEToolkits 2.0.7c1cc2c(cc1Br)C(C(=O)N2Cc3ncon3)O
Name:(3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one
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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