BioLiP

PDB

BioLiP

PDB CCD ID:

WPV

Number of entries in BioLiP:

Chemical formula:

C6 H7 Br N2

InChI:

InChI=1S/C6H7BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2

InChIKey:

OQUHYNMITHDQLD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(cncc1Br)CN
ACDLabs 12.01	n1cc(cc(c1)Br)CN
CACTVS 3.385	NCc1cncc(Br)c1

Name:

1-(5-bromopyridin-3-yl)methanamine

ZINC:

ZINC000012370809

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).