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BioLiP

PDB CCD ID: WGS
Number of entries in BioLiP: 1
Chemical formula: C11 H15 F N2 O
InChI: InChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14)
InChIKey: RDLLIXJKRKAZRZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(nc1)NCC2CCOCC2)F
CACTVS 3.385Fc1cccnc1NCC2CCOCC2
ACDLabs 12.01N(c1c(F)cccn1)CC2CCOCC2
Name:3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine
ZINC: ZINC000082545061
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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