BioLiP

PDB

BioLiP

PDB CCD ID:

DES

Number of entries in BioLiP:

Chemical formula:

C18 H20 O2

InChI:

InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+

InChIKey:

RGLYKWWBQGJZGM-ISLYRVAYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Oc2ccc(/C(=C(/c1ccc(O)cc1)CC)CC)cc2
CACTVS 3.341	CCC(c1ccc(O)cc1)=C(CC)c2ccc(O)cc2
OpenEye OEToolkits 1.5.0	CCC(=C(CC)c1ccc(cc1)O)c2ccc(cc2)O
OpenEye OEToolkits 1.5.0	CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O
CACTVS 3.341	CC\C(c1ccc(O)cc1)=C(CC)/c2ccc(O)cc2

Name:

DIETHYLSTILBESTROL

ChEMBL:

CHEMBL411

DrugBank:

DB00255

ZINC:

ZINC000000001290

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).