SEQ2FUN

BioLiP

PDB CCD ID: 5UB
Number of entries in BioLiP: 4
Chemical formula: C10 H6 N4 O S
InChI: InChI=1S/C10H6N4OS/c15-10-6-1-2-11-9(7-3-16-5-14-7)8(6)12-4-13-10/h1-5H,(H,12,13,15)
InChIKey: OBJLYJZXQQXIFV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cnc(c2c1C(=O)NC=N2)c3cscn3
CACTVS 3.385O=C1NC=Nc2c1ccnc2c3cscn3
Name:8-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one
ChEMBL: CHEMBL3775636
ZINC: ZINC000263620826

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).