BioLiP

PDB

BioLiP

PDB CCD ID:

4VY

Number of entries in BioLiP:

Chemical formula:

C8 H11 Br N2 O

InChI:

InChI=1S/C8H11BrN2O/c1-11(4-5-12)8-3-2-7(9)6-10-8/h2-3,6,12H,4-5H2,1H3

InChIKey:

FWDPWBASDJULOB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CN(CCO)c1ccc(cn1)Br
CACTVS 3.385	CN(CCO)c1ccc(Br)cn1
ACDLabs 12.01	Brc1cnc(N(C)CCO)cc1

Name:

2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL

ZINC:

ZINC000022053355

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).