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BioLiP

PDB CCD ID: UDD
Number of entries in BioLiP: 1
Chemical formula: C23 H20 F6 N4
InChI: InChI=1S/C23H20F6N4/c24-22(25,26)16-3-6-18(7-4-16)33(20-2-1-11-30-15-20)19-9-12-32(13-10-19)21-8-5-17(14-31-21)23(27,28)29/h1-8,11,14-15,19H,9-10,12-13H2
InChIKey: XCJMUIWIEQFAQX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC(F)(F)c1ccc(cc1)N(c2cccnc2)C4CCN(c3ncc(cc3)C(F)(F)F)CC4
CACTVS 3.385FC(F)(F)c1ccc(cc1)N(C2CCN(CC2)c3ccc(cn3)C(F)(F)F)c4cccnc4
OpenEye OEToolkits 1.9.2c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F
Name:N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine
ChEMBL: CHEMBL3104375
ZINC: ZINC000095920787
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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