BioLiP

PDB

BioLiP

PDB CCD ID:

4T7

Number of entries in BioLiP:

Chemical formula:

C12 H12 O2

InChI:

InChI=1S/C12H12O2/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-14H,8H2/t12-/m0/s1

InChIKey:

QFNOPZNUHSDHKZ-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc2cc(ccc2c1)[C@H](CO)O
CACTVS 3.385	OC[C@H](O)c1ccc2ccccc2c1
OpenEye OEToolkits 1.9.2	c1ccc2cc(ccc2c1)C(CO)O
ACDLabs 12.01	c1c(ccc2c1cccc2)C(CO)O
CACTVS 3.385	OC[CH](O)c1ccc2ccccc2c1

Name:

(1R)-1-(naphthalen-2-yl)ethane-1,2-diol

ZINC:

ZINC000000403247

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).