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BioLiP

PDB CCD ID: CFP
Number of entries in BioLiP: 1
Chemical formula: C5 H2 Cl F N4
InChI: InChI=1S/C5H2ClFN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChIKey: UNRIYCIDCQDGQE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(nc(n2)F)Cl
CACTVS 3.341Fc1nc(Cl)c2nc[nH]c2n1
ACDLabs 10.04Fc2nc1c(ncn1)c(Cl)n2
Name:6-CHLORO-2-FLUOROPURINE
DrugBank: DB03520
ZINC: ZINC000006585256
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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