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BioLiP

PDB CCD ID: W2J
Number of entries in BioLiP: 1
Chemical formula: C7 H15 N O
InChI: InChI=1S/C7H15NO/c1-6-2-7(5-9)4-8-3-6/h6-9H,2-5H2,1H3/t6-,7-/m1/s1
InChIKey: SSKKCWRWVKPDIA-RNFRBKRXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1CC(CNC1)CO
OpenEye OEToolkits 2.0.7C[C@@H]1C[C@H](CNC1)CO
CACTVS 3.385C[CH]1CNC[CH](CO)C1
CACTVS 3.385C[C@H]1CNC[C@H](CO)C1
ACDLabs 12.01C1(CC(CO)CNC1)C
Name:[(3R,5R)-5-methylpiperidin-3-yl]methanol
ZINC: ZINC000107114818
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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