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BioLiP

PDB CCD ID: XHP
Number of entries in BioLiP: 10
Chemical formula: C7 H7 N5 O
InChI: InChI=1S/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h1-2H2,(H3,8,9,11,12,13)
InChIKey: CHIXTMVYEYYHIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC1=NC2=NCC(=C)N=C2C(=O)N1
ACDLabs 12.01O=C1C2=N\C(=C)CN=C2N=C(N)N1
OpenEye OEToolkits 1.7.2C=C1CN=C2C(=N1)C(=O)NC(=N2)N
Name:2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one
ZINC: ZINC000095921349
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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