BioLiP

PDB

BioLiP

PDB CCD ID:

FPA

Number of entries in BioLiP:

Chemical formula:

C2 H Br F2 O2

InChI:

InChI=1S/C2HBrF2O2/c3-2(4,5)1(6)7/h(H,6,7)

InChIKey:

LZCMQBRCQWOSHZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)C(F)(F)Br
ACDLabs 12.01	C(F)(F)(C(=O)O)Br
OpenEye OEToolkits 1.7.6	C(=O)(C(F)(F)Br)O

Name:

bromo(difluoro)acetic acid

ZINC:

ZINC000004290612

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).