SEQ2FUN

BioLiP

PDB CCD ID: TU6
Number of entries in BioLiP: 4
Chemical formula: C11 H17 N3 O
InChI: InChI=1S/C11H17N3O/c1-9-7-11(13-10(8-15)12-9)14-5-3-2-4-6-14/h7,15H,2-6,8H2,1H3
InChIKey: GZINCFOQQRVKFL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(nc(n1)CO)N2CCCCC2
ACDLabs 12.01Cc1cc(nc(CO)n1)N1CCCCC1
CACTVS 3.385Cc1cc(nc(CO)n1)N2CCCCC2
Name:[4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol
ChEMBL: CHEMBL4518218
ZINC: ZINC000253419301
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).