SEQ2FUN

BioLiP

PDB CCD ID: 6MU
Number of entries in BioLiP: 6
Chemical formula: C5 H6 N2 O2
InChI: InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
InChIKey: SHVCSCWHWMSGTE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1cc(O)nc(O)n1
OpenEye OEToolkits 1.7.6Cc1cc(nc(n1)O)O
ACDLabs 12.01Oc1nc(O)nc(c1)C
Name:6-methylpyrimidine-2,4-diol
ChEMBL: CHEMBL1650614
ZINC: ZINC000000162484
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).