SEQ2FUN

BioLiP

PDB CCD ID: KBQ
Number of entries in BioLiP: 0
Chemical formula: C6 H5 N3 O S
InChI: InChI=1S/C6H5N3OS/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
InChIKey: QCZHCRBHXAFBDJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c[nH]c2c1C(=O)NC(=S)N2
CACTVS 3.385O=C1NC(=S)Nc2[nH]ccc12
Name:2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
ChEMBL: CHEMBL471165
ZINC: ZINC000089221605
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).