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BioLiP

PDB CCD ID: 5V7
Number of entries in BioLiP: 4
Chemical formula: C10 H7 N5 O S
InChI: InChI=1S/C10H7N5OS/c11-10-15-6(3-17-10)8-7-5(1-2-12-8)9(16)14-4-13-7/h1-4H,(H2,11,15)(H,13,14,16)
InChIKey: JEHSMTZNFSEDBY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N
CACTVS 3.385Nc1scc(n1)c2nccc3C(=O)NC=Nc23
Name:8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one
ChEMBL: CHEMBL3774798
ZINC: ZINC000263620595
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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