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BioLiP

PDB CCD ID: T0R
Number of entries in BioLiP: 2
Chemical formula: C26 H28 Cl N O
InChI: InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-
InChIKey: XFCLJVABOIYOMF-QPLCGJKRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3
ACDLabs 12.01c3cc(C(=C(/CCCl)c1ccccc1)/c2ccccc2)ccc3OCCN(C)C
CACTVS 3.385
OpenEye OEToolkits 2.0.4		CN(C)CCOc1ccc(cc1)C(=C(CCCl)c2ccccc2)c3ccccc3
CACTVS 3.385CN(C)CCOc1ccc(cc1)C(=C(/CCCl)c2ccccc2)/c3ccccc3
Name: Toremifene
ChEMBL: CHEMBL1655
DrugBank: DB00539
ZINC: ZINC000012404516
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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