SEQ2FUN

BioLiP

PDB CCD ID: KA3
Number of entries in BioLiP: 1
Chemical formula: C11 H20 N2 O2
InChI: InChI=1S/C11H20N2O2/c1-15-10-4-6-13(7-5-10)11(14)12-8-9-2-3-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKey: WCMIDDIKVJWNCW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COC1CCN(CC1)C(=O)NCC2CC2
ACDLabs 12.01O=C(NCC1CC1)N1CCC(OC)CC1
Name:N-(cyclopropylmethyl)-4-methoxypiperidine-1-carboxamide
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).