SEQ2FUN

BioLiP

PDB CCD ID: KLO
Number of entries in BioLiP: 2
Chemical formula: C11 H10 N2 O2
InChI: InChI=1S/C11H10N2O2/c14-10-9(7-12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)
InChIKey: RPZOVLGFKOOIRP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cc2cnc(nc2O)O
CACTVS 3.385Oc1ncc(Cc2ccccc2)c(O)n1
Name:5-(phenylmethyl)pyrimidine-2,4-diol
ChEMBL: CHEMBL275965
ZINC: ZINC000001670654
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).