SEQ2FUN

BioLiP

PDB CCD ID: KD8
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N4 O S
InChI: InChI=1S/C8H8N4OS/c1-3-4(2)10-6-5(9-3)7(13)12-8(14)11-6/h1-2H3,(H2,10,11,12,13,14)
InChIKey: FMPVXDGAZOSEMT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nc2NC(=S)NC(=O)c2nc1C
OpenEye OEToolkits 2.0.7Cc1c(nc2c(n1)C(=O)NC(=S)N2)C
Name:6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one
ChEMBL: CHEMBL1703022
ZINC: ZINC000008462106

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).