BioLiP

PDB

BioLiP

PDB CCD ID:

5K2

Number of entries in BioLiP:

Chemical formula:

C23 H20 O2

InChI:

InChI=1S/C23H20O2/c24-21-11-7-17(8-12-21)23(18-9-13-22(25)14-10-18)20-6-5-16-3-1-2-4-19(16)15-20/h1-4,7-14,24-25H,5-6,15H2

InChIKey:

VWBHJKZUPJSBJB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2
CACTVS 3.385	Oc1ccc(cc1)C(=C2CCc3ccccc3C2)c4ccc(O)cc4
ACDLabs 12.01	C\2Cc1ccccc1CC/2=C(\c3ccc(cc3)O)c4ccc(cc4)O

Name:

4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol

ZINC:

ZINC000584904965

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).