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BioLiP

PDB CCD ID: 7N8
Number of entries in BioLiP: 1
Chemical formula: C9 H12 B N O4
InChI: InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKey: NFIVJOSXJDORSP-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6B(c1ccc(cc1)C[C@@H](C(=O)O)N)(O)O
CACTVS 3.385N[CH](Cc1ccc(cc1)B(O)O)C(O)=O
OpenEye OEToolkits 2.0.6B(c1ccc(cc1)CC(C(=O)O)N)(O)O
CACTVS 3.385N[C@@H](Cc1ccc(cc1)B(O)O)C(O)=O
Name:4-Borono-L-phenylalanine
ChEMBL: CHEMBL125582
ZINC: ZINC000169743223
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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