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BioLiP

PDB CCD ID: 4IS
Number of entries in BioLiP: 8
Chemical formula: C10 H9 F2 N
InChI: InChI=1S/C10H9F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6H,1-2,5H2
InChIKey: QIZHVCUPPAMGIW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1F)C2=NCCC2)F
CACTVS 3.385Fc1ccc(F)c(c1)C2=NCCC2
Name:5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole
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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