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BioLiP

PDB CCD ID: N5J
Number of entries in BioLiP: 5
Chemical formula: C7 H5 N3 O
InChI: InChI=1S/C7H5N3O/c11-7-5-1-2-8-3-6(5)9-4-10-7/h1-4H,(H,9,10,11)
InChIKey: QMOPAFMMLWUTKI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cncc2c1C(=O)NC=N2
CACTVS 3.385O=C1NC=Nc2cnccc12
Name:3H-pyrido[3,4-d]pyrimidin-4-one
ChEMBL: CHEMBL3770256
ZINC: ZINC000020981109
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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