SEQ2FUN

BioLiP

PDB CCD ID: LD4
Number of entries in BioLiP: 1
Chemical formula: C11 H17 N3
InChI: InChI=1S/C11H17N3/c1-2-4-7-10(6-3-1)14-11-12-8-5-9-13-11/h5,8-10H,1-4,6-7H2,(H,12,13,14)
InChIKey: DYFJUGGWBNHTMD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1c(nccc1)NC2CCCCCC2
OpenEye OEToolkits 2.0.6c1cnc(nc1)NC2CCCCCC2
CACTVS 3.385C1CCCC(CC1)Nc2ncccn2
Name:N-cycloheptylpyrimidin-2-amine
ChEMBL: CHEMBL1391502
ZINC: ZINC000000433032
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).