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BioLiP Library

PDB CCD ID: B2I
Number of entries in BioLiP: 0
Chemical formula: C5 H14 B N O2
InChI: InChI=1S/C5H14BNO2/c1-3-4(2)5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t4-,5+/m1/s1
InChIKey: LCXREPGPURBYPC-UHNVWZDZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0B(C(C(C)CC)N)(O)O
CACTVS 3.370CC[C@@H](C)[C@H](N)B(O)O
OpenEye OEToolkits 1.7.0B([C@H]([C@H](C)CC)N)(O)O
CACTVS 3.370CC[CH](C)[CH](N)B(O)O
ACDLabs 12.01OB(O)C(N)C(C)CC
Name:ISOLEUCINE BORONIC ACID
ZINC: ZINC000195841932
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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