BioLiP

PDB

BioLiP

PDB CCD ID:

IJF

Number of entries in BioLiP:

Chemical formula:

C6 H6 Br N O

InChI:

InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2

InChIKey:

MHVUUSQGWMQSMH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnc(cc1Br)CO
CACTVS 3.385	OCc1cc(Br)ccn1

Name:

(4-bromanylpyridin-2-yl)methanol

ZINC:

ZINC000021303779

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).