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BioLiP

PDB CCD ID: 9HX
Number of entries in BioLiP: 3
Chemical formula: C6 H5 N3 O
InChI: InChI=1S/C6H5N3O/c10-6-5-4(1-2-7-5)8-3-9-6/h1-3,7H,(H,8,9,10)
InChIKey: UWMXUDUWVFWJPX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=C1NC=Nc2cc[nH]c12
OpenEye OEToolkits 1.5.0c1c[nH]c2c1N=CNC2=O
ACDLabs 10.04O=C1c2c(N=CN1)ccn2
Name:9-DEAZAHYPOXANTHINE
ChEMBL: CHEMBL1230671
DrugBank: DB04095
ZINC: ZINC000012504135
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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