BioLiP

PDB

BioLiP

PDB CCD ID:

TE8

Number of entries in BioLiP:

Chemical formula:

C15 H14 O3

InChI:

InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m1/s1

InChIKey:

FUPGQEMJIGUBGO-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@H](C(=O)O)Oc1ccc(cc1)c2ccccc2
OpenEye OEToolkits 2.0.7	CC(C(=O)O)Oc1ccc(cc1)c2ccccc2
CACTVS 3.385	C[C@@H](Oc1ccc(cc1)c2ccccc2)C(O)=O
CACTVS 3.385	C[CH](Oc1ccc(cc1)c2ccccc2)C(O)=O

Name:

(2~{R})-2-(4-phenylphenoxy)propanoic acid

ZINC:

ZINC000000241544

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).