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BioLiP

PDB CCD ID: 01L
Number of entries in BioLiP: 0
Chemical formula: C5 H14 B N O3
InChI: InChI=1S/C5H14BNO3/c1-10-4-2-3-5(7)6(8)9/h5,8-9H,2-4,7H2,1H3/t5-/m0/s1
InChIKey: HSZIJAHUOVGOAM-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0B(C(CCCOC)N)(O)O
CACTVS 3.370COCCC[C@H](N)B(O)O
ACDLabs 12.01OB(O)C(N)CCCOC
OpenEye OEToolkits 1.7.0B([C@H](CCCOC)N)(O)O
CACTVS 3.370COCCC[CH](N)B(O)O
Name:[(1R)-1-amino-4-methoxybutyl]boronic acid
ZINC: ZINC000217677357
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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