BioLiP

PDB

BioLiP

PDB CCD ID:

W25

Number of entries in BioLiP:

Chemical formula:

C8 H6 F2 O3

InChI:

InChI=1S/C8H6F2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/m1/s1

InChIKey:

BKHXODARAOCNDJ-SSDOTTSWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@@H](C(O)=O)c1ccc(F)c(F)c1
OpenEye OEToolkits 2.0.7	c1cc(c(cc1C(C(=O)O)O)F)F
OpenEye OEToolkits 2.0.7	c1cc(c(cc1[C@H](C(=O)O)O)F)F
CACTVS 3.385	O[CH](C(O)=O)c1ccc(F)c(F)c1
ACDLabs 12.01	Fc1ccc(cc1F)C(O)C(=O)O

Name:

(2R)-(3,4-difluorophenyl)(hydroxy)acetic acid

ZINC:

ZINC000002169776

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).