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BioLiP Library

PDB CCD ID: DFU
Number of entries in BioLiP: 12
Chemical formula: C6 H13 N O3
InChI: InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1
InChIKey: VYOCYWDJTQRZLC-KCDKBNATSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04OC1C(NCC(O)C1O)C
CACTVS 3.341C[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O
OpenEye OEToolkits 1.5.0CC1C(C(C(CN1)O)O)O
CACTVS 3.341C[CH]1NC[CH](O)[CH](O)[CH]1O
Name:(2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL;
DEOXYFUCONOJIRIMYCIN
ChEMBL: CHEMBL314772
ZINC: ZINC000002585424
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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