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BioLiP

PDB CCD ID: KIX
Number of entries in BioLiP: 5
Chemical formula: C8 H10 B O3
InChI: InChI=1S/C8H10BO3/c10-9(11)8-4-2-1-3-7(8)5-6-12-9/h1-4,10-11H,5-6H2
InChIKey: MFYYVEPZJUPHCD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7B1(c2ccccc2CCO1)(O)O
CACTVS 3.385O[B]1(O)OCCc2ccccc12
Name:1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine;
3,4-dihydro-1H-1l4-benzo[c][1,2]oxaborinine-1,1-diol
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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