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BioLiP

PDB CCD ID: 7V6
Number of entries in BioLiP: 1
Chemical formula: C16 H17 B O4
InChI: InChI=1S/C16H17BO4/c17-12-5-3-11(4-6-12)14(18)7-1-10-2-8-15(19)13(9-10)16(20)21/h2-6,8-9,14,18-19H,1,7,17H2,(H,20,21)/t14-/m1/s1
InChIKey: AIYINTRBIVHQTG-CQSZACIVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Bc1ccc(cc1)[C@@H](CCc2ccc(c(c2)C(=O)O)O)O
CACTVS 3.385Bc1ccc(cc1)[CH](O)CCc2ccc(O)c(c2)C(O)=O
OpenEye OEToolkits 2.0.6Bc1ccc(cc1)C(CCc2ccc(c(c2)C(=O)O)O)O
CACTVS 3.385Bc1ccc(cc1)[C@H](O)CCc2ccc(O)c(c2)C(O)=O
Name:5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic 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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