SEQ2FUN

BioLiP

PDB CCD ID: 5UC
Number of entries in BioLiP: 1
Chemical formula: C4 H3 Cl N2 O2
InChI: InChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey: ZFTBZKVVGZNMJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		ClC1=CNC(=O)NC1=O
OpenEye OEToolkits 1.9.2C1=C(C(=O)NC(=O)N1)Cl
Name:5-chloropyrimidine-2,4(1H,3H)-dione
ChEMBL: CHEMBL144082
ZINC: ZINC000001646314
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).