BioLiP

PDB

BioLiP

PDB CCD ID:

5CC

Number of entries in BioLiP:

Chemical formula:

C28 H25 N O2

InChI:

InChI=1S/C28H25NO2/c1-2-27(22-7-6-10-24(19-22)29-23-8-4-3-5-9-23)28(20-11-15-25(30)16-12-20)21-13-17-26(31)18-14-21/h3-19,29-31H,2H2,1H3

InChIKey:

RFOPQFVGWFBJRC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC(c1cccc(Nc2ccccc2)c1)=C(c3ccc(O)cc3)c4ccc(O)cc4
ACDLabs 12.01	CC/C(c1cc(ccc1)Nc2ccccc2)=C(/c3ccc(cc3)O)c4ccc(cc4)O
OpenEye OEToolkits 1.9.2	CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4

Name:

4,4'-{2-[3-(phenylamino)phenyl]but-1-ene-1,1-diyl}diphenol

ZINC:

ZINC000584904877

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).