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BioLiP

PDB CCD ID: 7UV
Number of entries in BioLiP: 2
Chemical formula: C14 H13 B2 Cl O3
InChI: InChI=1S/C14H13B2ClO3/c17-14-9-12(15-18)7-6-11(14)5-4-10-2-1-3-13(8-10)16(19)20/h1-9,15,18-20H/b5-4+
InChIKey: ZFFBGRNKFXBELR-SNAWJCMRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6B(c1ccc(c(c1)Cl)/C=C/c2cccc(c2)B(O)O)O
CACTVS 3.385OBc1ccc(/C=C/c2cccc(c2)B(O)O)c(Cl)c1
CACTVS 3.385OBc1ccc(C=Cc2cccc(c2)B(O)O)c(Cl)c1
OpenEye OEToolkits 2.0.6B(c1ccc(c(c1)Cl)C=Cc2cccc(c2)B(O)O)O
ACDLabs 12.01c1(BO)ccc(c(c1)Cl)[C@H]=[C@H]c2cc(ccc2)B(O)O
Name:(3-{(E)-2-[2-chloro-4-(hydroxyboranyl)phenyl]ethenyl}phenyl)boronic acid
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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