SEQ2FUN

BioLiP

PDB CCD ID: HPN
Number of entries in BioLiP: 1
Chemical formula: C7 H15 N O
InChI: InChI=1S/C7H15NO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H2,8,9)
InChIKey: AEDIXYWIVPYNBI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCC(=O)N
ACDLabs 10.04O=C(N)CCCCCC
CACTVS 3.341CCCCCCC(N)=O
Name:HEPTANAMIDE
ChEMBL: CHEMBL238502
DrugBank: DB02641
ZINC: ZINC000001672870
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).