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BioLiP

PDB CCD ID: 7DG
Number of entries in BioLiP: 2
Chemical formula: C6 H6 N4 O
InChI: InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h2H,1H2,(H3,7,9,10,11)
InChIKey: LOSIULRWFAEMFL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C=NC2=C1C(=O)NC(=N2)N
ACDLabs 10.04O=C2C1=C(N=CC1)N=C(N2)N
CACTVS 3.341NC1=NC2=C(CC=N2)C(=O)N1
Name:7-DEAZAGUANINE
ChEMBL: CHEMBL219544
DrugBank: DB02245
ZINC: ZINC000018187616
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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