BioLiP

PDB

BioLiP

PDB CCD ID:

4LW

Number of entries in BioLiP:

Chemical formula:

C9 H7 F O2

InChI:

InChI=1S/C9H7FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)/b8-6-

InChIKey:

QONCEXMULRJPPY-VURMDHGXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)C=C(C(=O)O)F
ACDLabs 12.01	F\C(=C/c1ccccc1)C(O)=O
CACTVS 3.385	OC(=O)C(F)=Cc1ccccc1
CACTVS 3.385	OC(=O)C(/F)=C/c1ccccc1
OpenEye OEToolkits 1.9.2	c1ccc(cc1)/C=C(/C(=O)O)\F

Name:

(2Z)-2-fluoro-3-phenylprop-2-enoic acid

ChEMBL:

CHEMBL4064181

ZINC:

ZINC000000160383

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).