BioLiP

PDB

BioLiP

PDB CCD ID:

7F6

Number of entries in BioLiP:

Chemical formula:

C14 H14 O2

InChI:

InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1

InChIKey:

IHPDTPWNFBQHEB-ZIAGYGMSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C(C(c2ccccc2)O)O
ACDLabs 12.01	C(C(c1ccccc1)O)(O)c2ccccc2
CACTVS 3.385	O[C@@H]([C@H](O)c1ccccc1)c2ccccc2
CACTVS 3.385	O[CH]([CH](O)c1ccccc1)c2ccccc2

Name:

(1R,2R)-1,2-diphenylethane-1,2-diol;
cis-stilbene epoxide, bound form

ZINC:

ZINC000000388744

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).