BioLiP

PDB

BioLiP

PDB CCD ID:

4BP

Number of entries in BioLiP:

Chemical formula:

C14 H12 Br2

InChI:

InChI=1S/C14H12Br2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2

InChIKey:

HMUGRILXVBKBID-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	BrCc2ccc(c1ccc(cc1)CBr)cc2
CACTVS 3.370	BrCc1ccc(cc1)c2ccc(CBr)cc2
OpenEye OEToolkits 1.7.6	c1cc(ccc1CBr)c2ccc(cc2)CBr

Name:

4,4'-bis(bromomethyl)biphenyl

ZINC:

ZINC000000362877

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).