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BioLiP

PDB CCD ID: NX7
Number of entries in BioLiP: 4
Chemical formula: C11 H11 F2 N O
InChI: InChI=1S/C11H11F2NO/c12-8-4-3-5-9(13)10(8)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2
InChIKey: WKDBMZQECSVNDS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(c(c1)F)C(=O)N2CCCC2)F
CACTVS 3.385Fc1cccc(F)c1C(=O)N2CCCC2
ACDLabs 12.01c1(cccc(c1C(=O)N2CCCC2)F)F
Name:(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone
ChEMBL: CHEMBL1450678
ZINC: ZINC000000035148
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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