BioLiP

PDB

BioLiP

PDB CCD ID:

9PS

Number of entries in BioLiP:

Chemical formula:

C18 H14 O2

InChI:

InChI=1S/C18H14O2/c19-17-10-8-14(12-18(17)20)6-5-13-7-9-15-3-1-2-4-16(15)11-13/h1-12,19-20H/b6-5+

InChIKey:

VBDICJKWECPUIF-AATRIKPKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2cc(ccc2c1)C=Cc3ccc(c(c3)O)O
CACTVS 3.385	Oc1ccc(C=Cc2ccc3ccccc3c2)cc1O
OpenEye OEToolkits 2.0.7	c1ccc2cc(ccc2c1)/C=C/c3ccc(c(c3)O)O
CACTVS 3.385	Oc1ccc(\C=C\c2ccc3ccccc3c2)cc1O

Name:

4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol

ChEMBL:

CHEMBL474527

ZINC:

ZINC000033962676

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).