BioLiP

PDB

BioLiP

PDB CCD ID:

UUS

Number of entries in BioLiP:

Chemical formula:

C7 H8 Br N O2

InChI:

InChI=1S/C7H8BrNO2/c8-6-1-2-9(3-4-10)7(11)5-6/h1-2,5,10H,3-4H2

InChIKey:

GQPBXJHZWYTNFM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1=CN(C(=O)C=C1Br)CCO
CACTVS 3.385	OCCN1C=CC(=CC1=O)Br
ACDLabs 12.01	C=1C(Br)=CC(N(C=1)CCO)=O

Name:

4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one

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).