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BioLiP

PDB CCD ID: KGE
Number of entries in BioLiP: 1
Chemical formula: C6 H11 N O2
InChI: InChI=1S/C6H11NO2/c8-4-5-6(9)2-1-3-7-5/h1-2,5-9H,3-4H2/t5-,6+/m0/s1
InChIKey: IIZFBLMFSCOJPJ-NTSWFWBYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1C=CC(C(N1)CO)O
OpenEye OEToolkits 2.0.7C1C=C[C@H]([C@@H](N1)CO)O
CACTVS 3.385OC[CH]1NCC=C[CH]1O
CACTVS 3.385OC[C@@H]1NCC=C[C@H]1O
Name:(2~{S},3~{R})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol
ChEMBL: CHEMBL2011607
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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