BioLiP

PDB

BioLiP

PDB CCD ID:

8N8

Number of entries in BioLiP:

Chemical formula:

C5 H2 Br2 O2 S

InChI:

InChI=1S/C5H2Br2O2S/c6-2-1-10-4(3(2)7)5(8)9/h1H,(H,8,9)

InChIKey:

VMFBMYZXQCTXAV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1c(c(c(s1)C(=O)O)Br)Br
CACTVS 3.385	OC(=O)c1scc(Br)c1Br

Name:

3,4-bis(bromanyl)thiophene-2-carboxylic acid

ZINC:

ZINC000004109049

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).