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BioLiP Library

PDB CCD ID: XTN
Number of entries in BioLiP: 1
Chemical formula: C6 H5 N5 O2
InChI: InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h1H,(H,9,12)(H3,7,8,10,11,13)
InChIKey: VURKRJGMSKJIQX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC1=NC(=O)C2=C(N1)N=CC(=O)N2
ACDLabs 12.01O=C1C=NC2=C(N1)C(=O)N=C(N)N2
OpenEye OEToolkits 1.7.0C1=NC2=C(C(=O)N=C(N2)N)NC1=O
Name:2-amino-1,5-dihydropteridine-4,6-dione;
Xanthopterin
ChEMBL: CHEMBL1236854
ZINC: ZINC000012660678
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)(download the PDF file).
  • 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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