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BioLiP Library

PDB CCD ID: 8VD
Number of entries in BioLiP: 1
Chemical formula: C10 H13 F3 N4
InChI: InChI=1S/C10H13F3N4/c11-10(12,13)8-5-9(16-6-15-8)17-7-1-3-14-4-2-7/h5-7,14H,1-4H2,(H,15,16,17)
InChIKey: GRSDOXXGQOHABE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(ncnc1NC2CCNCC2)C(F)(F)F
ACDLabs 12.01FC(F)(F)c1cc(ncn1)NC1CCNCC1
CACTVS 3.385FC(F)(F)c1cc(NC2CCNCC2)ncn1
Name:N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
ZINC: ZINC000098214202
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)(download the PDF file).
  • 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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