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BioLiP

PDB CCD ID: TAX
Number of entries in BioLiP: 0
Chemical formula: C26 H30 N O
InChI: InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/p+1/b26-25+
InChIKey: NKANXQFJJICGDU-OCEACIFDSA-O
SMILES:
SoftwareSMILES
CACTVS 3.341CCC(c1ccccc1)=C(c2ccccc2)c3ccc(OCC[NH+](C)C)cc3
OpenEye OEToolkits 1.5.0CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCC[NH+](C)C)/c3ccccc3
CACTVS 3.341CC\C(c1ccccc1)=C(c2ccccc2)/c3ccc(OCC[NH+](C)C)cc3
ACDLabs 10.04O(c1ccc(cc1)\C(c2ccccc2)=C(\c3ccccc3)CC)CC[NH+](C)C
OpenEye OEToolkits 1.5.0CCC(=C(c1ccccc1)c2ccc(cc2)OCC[NH+](C)C)c3ccccc3
Name:(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM;
CIS FORM OF TAMOXIFEN
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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