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BioLiP

PDB CCD ID: 2FQ
Number of entries in BioLiP: 2
Chemical formula: C9 H10 N4 O
InChI: InChI=1S/C9H10N4O/c1-5-11-4-6-3-7(10)9(14)13(2)8(6)12-5/h3-4H,10H2,1-2H3
InChIKey: SSAYTTNQRVNWAL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C2C(=Cc1c(nc(nc1)C)N2C)N
OpenEye OEToolkits 1.7.6Cc1ncc2c(n1)N(C(=O)C(=C2)N)C
CACTVS 3.385CN1C(=O)C(=Cc2cnc(C)nc12)N
Name:6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one
ZINC: ZINC000098208160
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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