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BioLiP

PDB CCD ID: FB6
Number of entries in BioLiP: 1
Chemical formula: C7 H16 B N O4
InChI: InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)/t7-/m0/s1
InChIKey: VJCNFQNUKLFMMR-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2B(CCCCC(C)(C(=O)O)N)(O)O
ACDLabs 12.01O=C(O)C(N)(CCCCB(O)O)C
CACTVS 3.370C[C@](N)(CCCCB(O)O)C(O)=O
CACTVS 3.370C[C](N)(CCCCB(O)O)C(O)=O
Name:6-(dihydroxyboranyl)-2-methyl-L-norleucine
ZINC: ZINC000170145026
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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