BioLiP

PDB

BioLiP

PDB CCD ID:

CXJ

Number of entries in BioLiP:

Chemical formula:

C8 H6 F2 O3

InChI:

InChI=1S/C8H6F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/m0/s1

InChIKey:

PHMLPPFFMSRWBK-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@H](C(O)=O)c1cc(F)cc(F)c1
OpenEye OEToolkits 2.0.6	c1c(cc(cc1F)F)C(C(=O)O)O
CACTVS 3.385	O[CH](C(O)=O)c1cc(F)cc(F)c1
OpenEye OEToolkits 2.0.6	c1c(cc(cc1F)F)[C@@H](C(=O)O)O
ACDLabs 12.01	c1c(cc(F)cc1C(C(O)=O)O)F

Name:

(2S)-(3,5-difluorophenyl)(hydroxy)acetic acid

ZINC:

ZINC000000406430

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).