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BioLiP

PDB CCD ID: 0R1
Number of entries in BioLiP: 2
Chemical formula: C7 H5 N O
InChI: InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H
InChIKey: KTZQTRPPVKQPFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2oc1ccccc1c2
CACTVS 3.370o1ncc2ccccc12
OpenEye OEToolkits 1.7.6c1ccc2c(c1)cno2
Name:1,2-benzisoxazole
ChEMBL: CHEMBL314871
ZINC: ZINC000004521187
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)(download the PDF file).
  • 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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