SEQ2FUN

BioLiP

PDB CCD ID: A1BCN
Number of entries in BioLiP: 3
Chemical formula: C8 H6 N4 O2 S
InChI: InChI=1S/C8H6N4O2S/c13-5-1-2-10-8(11-5)12-6(14)7-9-3-4-15-7/h1-4H,(H2,10,11,12,13,14)
InChIKey: KPMWYHPSMHMGDR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52O=C(NC1=NC(=O)C=CN1)c1nccs1
OpenEye OEToolkits 3.1.0.0c1csc(n1)C(=O)NC2=NC(=O)C=CN2
CACTVS 3.385O=C(NC1=NC(=O)C=CN1)c2sccn2
Name:N-(4-oxo-1,4-dihydropyrimidin-2-yl)-1,3-thiazole-2-carboxamide
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).