BioLiP

PDB

BioLiP

PDB CCD ID:

A1CS4

Number of entries in BioLiP:

Chemical formula:

C5 H5 B Br O2 S

InChI:

InChI=1S/C5H5BBrO2S/c1-3-4(7)2-5(10-3)6(8)9/h2,8H,1H3

InChIKey:

LBOZEMFTUYESPV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	B(=O)(c1cc(c(s1)C)Br)O
CACTVS 3.385	Cc1sc(cc1Br)[B](O)=O

Name:

(4-bromanyl-5-methyl-thiophen-2-yl)-oxidanyl-oxidanylidene-boron

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).