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BioLiP

PDB CCD ID: 9DG
Number of entries in BioLiP: 12
Chemical formula: C6 H6 N4 O
InChI: InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)
InChIKey: FFYPRJYSJODFFD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=Nc2cc[nH]c2C(=O)N1
OpenEye OEToolkits 1.5.0c1c[nH]c2c1N=C(NC2=O)N
ACDLabs 10.04O=C1c2c(N=C(N1)N)ccn2
Name:9-DEAZAGUANINE
ChEMBL: CHEMBL367746
DrugBank: DB04356
ZINC: ZINC000100004977
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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