SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C11 H12 N O4 P

InChI:

InChI=1S/C11H12NO4P/c1-12-10-5-3-2-4-9(10)8(6-11(12)13)7-17(14,15)16/h2-6H,7H2,1H3,(H2,14,15,16)

InChIKey:

LOQZOOPJJBKDAA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1C(=O)C=C(C[P](O)(O)=O)c2ccccc12
ACDLabs 12.01	CN2C(C=C(CP(O)(=O)O)c1ccccc12)=O
OpenEye OEToolkits 2.0.6	CN1c2ccccc2C(=CC1=O)CP(=O)(O)O

Name:

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

ChEMBL:

ZINC:

ZINC000621478275

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).