BioLiP

PDB

BioLiP

PDB CCD ID:

WUE

Number of entries in BioLiP:

Chemical formula:

C25 H20 O3

InChI:

InChI=1S/C25H20O3/c26-25(27)24(17-18-7-2-1-3-8-18)28-21-15-13-20(14-16-21)23-12-6-10-19-9-4-5-11-22(19)23/h1-16,24H,17H2,(H,26,27)/t24-/m0/s1

InChIKey:

UDWUKDKWHIAYOW-DEOSSOPVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CC(C(=O)O)Oc2ccc(cc2)c3cccc4c3cccc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c3cccc4c3cccc4
CACTVS 3.385	OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2)c3cccc4ccccc34
CACTVS 3.385	OC(=O)[C@H](Cc1ccccc1)Oc2ccc(cc2)c3cccc4ccccc34

Name:

(2~{S})-2-(4-naphthalen-1-ylphenoxy)-3-phenyl-propanoic acid

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).