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BioLiP

PDB CCD ID: K8B
Number of entries in BioLiP: 2
Chemical formula: C19 H29 N
InChI: InChI=1S/C19H29N/c1-4-13-20-14-11-18(12-15-20)6-5-17-7-9-19(10-8-17)16(2)3/h4,7-10,13,16,18H,5-6,11-12,14-15H2,1-3H3/b13-4+
InChIKey: ZAGXDKMVGYZZKY-YIXHJXPBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C/C=C/N1CCC(CC1)CCc2ccc(cc2)C(C)C
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC=CN1CCC(CC1)CCc2ccc(cc2)C(C)C
CACTVS 3.385C\C=C\N1CCC(CC1)CCc2ccc(cc2)C(C)C
Name:4-[2-(4-propan-2-ylphenyl)ethyl]-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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