BioLiP

PDB

BioLiP

PDB CCD ID:

L8J

Number of entries in BioLiP:

Chemical formula:

C10 H8 Br2 N O4 P

InChI:

InChI=1S/C10H8Br2NO4P/c11-6-2-7(12)10-5(4-18(15,16)17)1-9(14)13-8(10)3-6/h1-3H,4H2,(H,13,14)(H2,15,16,17)

InChIKey:

YMPWKSWKTYLHON-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[P](O)(=O)CC1=CC(=O)Nc2cc(Br)cc(Br)c12
OpenEye OEToolkits 2.0.7	c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br
ACDLabs 12.01	c1(cc(Br)c2c(c1)NC(C=C2CP(O)(O)=O)=O)Br

Name:

[(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid

ChEMBL:

CHEMBL4550875

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).