SEQ2FUN

BioLiP

PDB CCD ID: 1P3
Number of entries in BioLiP: 1
Chemical formula: C8 H15 N O
InChI: InChI=1S/C8H15NO/c1-7-4-3-5-9(6-7)8(2)10/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKey: XKFPNHDGLSYZRC-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH]1CCCN(C1)C(C)=O
OpenEye OEToolkits 1.5.0CC1CCCN(C1)C(=O)C
OpenEye OEToolkits 1.5.0C[C@@H]1CCCN(C1)C(=O)C
ACDLabs 10.04O=C(N1CCCC(C)C1)C
CACTVS 3.341C[C@@H]1CCCN(C1)C(C)=O
Name:(3R)-1-ACETYL-3-METHYLPIPERIDINE
DrugBank: DB01742
ZINC: ZINC000000389643
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).