SEQ2FUN

BioLiP

PDB CCD ID: A1AM7
Number of entries in BioLiP: 3
Chemical formula: C6 H8 N2 O2
InChI: InChI=1S/C6H8N2O2/c9-4-3-8-5-7-2-1-6(8)10/h1-2,5,9H,3-4H2
InChIKey: HFZYCRPBIIVEAW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		OCCN1C=NC=CC1=O
OpenEye OEToolkits 2.0.7C1=CN=CN(C1=O)CCO
Name:3-(2-hydroxyethyl)pyrimidin-4(3H)-one
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).