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BioLiP

PDB CCD ID: K6Q
Number of entries in BioLiP: 2
Chemical formula: C16 H20 F N
InChI: InChI=1S/C16H20FN/c1-2-11-18-12-9-15(10-13-18)4-3-14-5-7-16(17)8-6-14/h2-8,11,15H,9-10,12-13H2,1H3/b4-3+,11-2+
InChIKey: MSBXCAPJLPROOO-FRKQTSRXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC=CN1CCC(CC1)C=Cc2ccc(F)cc2
OpenEye OEToolkits 2.0.7C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)F
OpenEye OEToolkits 2.0.7CC=CN1CCC(CC1)C=Cc2ccc(cc2)F
CACTVS 3.385C\C=C\N1CCC(CC1)\C=C\c2ccc(F)cc2
Name:4-[(~{E})-2-(4-fluorophenyl)ethenyl]-1-[(~{E})-prop-1-enyl]piperidine
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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