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BioLiP

PDB CCD ID: 19J
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N7 O5
InChI: InChI=1S/C11H11N7O5/c12-11-17-8-7(10(23)18-11)14-1-4(16-8)9(22)15-2-5(19)13-3-6(20)21/h1H,2-3H2,(H,13,19)(H,15,22)(H,20,21)(H3,12,16,17,18,23)
InChIKey: WMBGGQNJJUXOQV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC1=NC(=O)c2ncc(nc2N1)C(=O)NCC(=O)NCC(O)=O
OpenEye OEToolkits 1.7.6c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)NCC(=O)NCC(=O)O
Name:2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid
ZINC: ZINC000095920653
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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