BioLiP

PDB

BioLiP

PDB CCD ID:

0A5

Number of entries in BioLiP:

Chemical formula:

C4 H7 Br O2

InChI:

InChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)

InChIKey:

GRHQDJDRGZFIPO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	OC(=O)CCCBr
OpenEye OEToolkits 1.6.1	C(CC(=O)O)CBr

Name:

4-bromobutanoic acid

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).