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BioLiP

PDB CCD ID: ZMD
Number of entries in BioLiP: 8
Chemical formula: C7 H7 B O3
InChI: InChI=1S/C7H7BO3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7,9-10H/t7-/m0/s1
InChIKey: GKXMUTRKNBAUGN-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OB1O[CH](O)c2ccccc12
CACTVS 3.385OB1O[C@H](O)c2ccccc12
OpenEye OEToolkits 2.0.7B1(c2ccccc2C(O1)O)O
OpenEye OEToolkits 2.0.7B1(c2ccccc2[C@H](O1)O)O
ACDLabs 12.01OB1OC(O)c2ccccc12
Name:(3S)-2,1-benzoxaborole-1,3(3H)-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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