SEQ2FUN

BioLiP

PDB CCD ID: A1I6C
Number of entries in BioLiP: 1
Chemical formula: C12 H17 N3
InChI: InChI=1S/C12H17N3/c13-12(15-9-5-2-6-10-15)14-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,13,14)
InChIKey: TZEFIKHIRATNEI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)N=C(N)N2CCCCC2
CACTVS 3.385NC(=Nc1ccccc1)N2CCCCC2
OpenEye OEToolkits 2.0.7c1ccc(cc1)/N=C(/N)\N2CCCCC2
Name:~{N}'-phenylpiperidine-1-carboximidamide
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).