BioLiP

PDB

BioLiP

PDB CCD ID:

T0R

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.4	CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3
ACDLabs 12.01	c3cc(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 3.385	CN(C)CCOc1ccc(cc1)C(=C(/CCCl)c2ccccc2)/c3ccccc3

Name:

Toremifene

ChEMBL:

CHEMBL1655

DrugBank:

DB00539

ZINC:

ZINC000012404516

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).