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BioLiP

PDB CCD ID: BO8
Number of entries in BioLiP: 2
Chemical formula: C9 H20 B N2 O6
InChI: InChI=1S/C9H20BN2O6/c1-6(10(16,17)18)12-8(13)5-3-2-4-7(11)9(14)15/h6-7,16-18H,2-5,11H2,1H3,(H,12,13)(H,14,15)/q-1/t6-,7-/m1/s1
InChIKey: ZSMKWHGOAVMEJJ-RNFRBKRXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1[B-]([C@@H](C)NC(=O)CCCC[C@H](C(=O)O)N)(O)(O)O
ACDLabs 10.04O=C(NC(C)[B-](O)(O)O)CCCCC(C(=O)O)N
CACTVS 3.352C[C@@H](NC(=O)CCCC[C@@H](N)C(O)=O)[B-](O)(O)O
CACTVS 3.352C[CH](NC(=O)CCCC[CH](N)C(O)=O)[B-](O)(O)O
OpenEye OEToolkits 1.6.1[B-](C(C)NC(=O)CCCCC(C(=O)O)N)(O)(O)O
Name:(D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHYLBORONIC ACID
ZINC: ZINC000198004839
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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