BioLiP

PDB

BioLiP

PDB CCD ID:

RN1

Number of entries in BioLiP:

Chemical formula:

C13 H14 O3

InChI:

InChI=1S/C13H14O3/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-15H,8-9H2/t11-/m1/s1

InChIKey:

BYNNMWGWFIGTIC-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)cccc2OC[C@@H](CO)O
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)cccc2OCC(CO)O
ACDLabs 12.01	OCC(O)COc2cccc1ccccc12
CACTVS 3.370	OC[C@@H](O)COc1cccc2ccccc12
CACTVS 3.370	OC[CH](O)COc1cccc2ccccc12

Name:

(2R)-3-(naphthalen-1-yloxy)propane-1,2-diol

ChEMBL:

CHEMBL1514070

ZINC:

ZINC000002008501

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).