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BioLiP

PDB CCD ID: A2F
Number of entries in BioLiP: 3
Chemical formula: C5 H4 F N5
InChI: InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
InChIKey: WKMPTBDYDNUJLF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1nc(F)nc2nc[nH]c12
ACDLabs 10.04Fc1nc(c2c(n1)ncn2)N
OpenEye OEToolkits 1.5.0c1[nH]c2c(nc(nc2n1)F)N
Name:2-fluoroadenine;
2-fluoro-7H-purin-6-amine
ChEMBL: CHEMBL580404
ZINC: ZINC000001641355
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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