SEQ2FUN

BioLiP

PDB CCD ID: URB
Number of entries in BioLiP: 1
Chemical formula: C4 H3 Br N2 O2
InChI: InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey: LQLQRFGHAALLLE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		BrC1=CNC(=O)NC1=O
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)Br
Name:5-bromopyrimidine-2,4(1H,3H)-dione;
5-bromouracil
ChEMBL: CHEMBL144730
ZINC: ZINC000000967318
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).