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BioLiP

PDB CCD ID: 3WA
Number of entries in BioLiP: 1
Chemical formula: C7 H6 N4 O
InChI: InChI=1S/C7H6N4O/c8-6-5-4(12)1-2-9-7(5)11-3-10-6/h1-3H,(H3,8,9,10,11,12)
InChIKey: BGXMRRHONOWTLI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncnc2NC=CC(=O)c12
ACDLabs 12.01O=C2c1c(ncnc1N)NC=C2
OpenEye OEToolkits 1.9.2c1nc(c2c(n1)NC=CC2=O)N
Name:4-aminopyrido[2,3-d]pyrimidin-5(8H)-one
ChEMBL: CHEMBL122927
ZINC: ZINC000000167708
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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