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BioLiP

PDB CCD ID: RP7
Number of entries in BioLiP: 2
Chemical formula: C6 H11 N O
InChI: InChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-3,6,8H,4-5H2,1H3/t6-/m0/s1
InChIKey: GLDHZKQYHDFALD-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1CC=C[C@@H](C1)O
CACTVS 3.385CN1CC=C[C@H](O)C1
CACTVS 3.385CN1CC=C[CH](O)C1
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CN1CC=CC(C1)O
Name:(3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol
ChEMBL: CHEMBL4743456
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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