SEQ2FUN

BioLiP

PDB CCD ID: NXS
Number of entries in BioLiP: 2
Chemical formula: C10 H15 N3 O
InChI: InChI=1S/C10H15N3O/c14-8-9-2-6-13(7-3-9)10-11-4-1-5-12-10/h1,4-5,9,14H,2-3,6-8H2
InChIKey: ZUNGTEUNVMHDIX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCC1CCN(CC1)c2ncccn2
ACDLabs 12.01N2(c1ncccn1)CCC(CC2)CO
OpenEye OEToolkits 2.0.6c1cnc(nc1)N2CCC(CC2)CO
Name:[1-(pyrimidin-2-yl)piperidin-4-yl]methanol
ZINC: ZINC000000158945
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).