BioLiP

PDB

BioLiP

PDB CCD ID:

K72

Number of entries in BioLiP:

Chemical formula:

C17 H20 F3 N

InChI:

InChI=1S/C17H20F3N/c1-2-11-21-12-9-15(10-13-21)4-3-14-5-7-16(8-6-14)17(18,19)20/h2-8,11,15H,9-10,12-13H2,1H3/b4-3+,11-2+

InChIKey:

ONJVYKXNJUTMAU-FRKQTSRXSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC=CN1CCC(CC1)C=Cc2ccc(cc2)C(F)(F)F
CACTVS 3.385	C\C=C\N1CCC(CC1)\C=C\c2ccc(cc2)C(F)(F)F
OpenEye OEToolkits 2.0.7	C/C=C/N1CCC(CC1)/C=C/c2ccc(cc2)C(F)(F)F

Name:

1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).