SEQ2FUN

BioLiP

PDB CCD ID: JQ3
Number of entries in BioLiP: 4
Chemical formula: C10 H15 N3 O
InChI: InChI=1S/C10H15N3O/c11-10-12-5-9(6-13-10)14-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,11,12,13)
InChIKey: QKFZYPIXUDVGDD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(cnc(n1)N)OCC2CCCC2
ACDLabs 12.01
CACTVS 3.385		Nc1ncc(OCC2CCCC2)cn1
Name:5-(cyclopentylmethoxy)pyrimidin-2-amine
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).